Cas no 70487-02-4 (1-ethynyl-3,3,5-trimethylcyclohexan-1-ol)
1-Ethynyl-3,3,5-trimethylcyclohexan-1-ol is a versatile cyclic tertiary alcohol featuring an ethynyl functional group, which enhances its reactivity in synthetic applications. The compound's sterically hindered structure, with three methyl groups at the 3,3,5-positions, contributes to its stability while allowing selective transformations. The ethynyl moiety enables participation in coupling reactions, such as Sonogashira or click chemistry, making it valuable for constructing complex molecular architectures. Its hydroxyl group offers further derivatization potential, including esterification or etherification. This compound is particularly useful in pharmaceutical and agrochemical research, where its rigid cyclohexane backbone can influence conformational properties in target molecules. Proper handling under inert conditions is recommended due to the reactive alkyne group.
70487-02-4 structure
Product Name:1-ethynyl-3,3,5-trimethylcyclohexan-1-ol
CAS No:70487-02-4
MF:C11H18O
MW:166.260023593903
CID:975223
PubChem ID:233268
Update Time:2025-10-29
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-ethynyl-3,3,5-trimethylcyclohexan-1-ol
- 1-Aethinyl-3,3,5-trimethyl-cyclohexanol
- 1-ethynyl-3,3,5-trimethylcyclohexanol
- 1-ethynyl-3,3,5-trimethyl-cyclohexanol
- AC1L5PO8
- AC1Q2841
- AG-J-19494
- AR-1C3072
- CTK5D2494
- NSC31640
- Opt.-inakt. 5-Hydroxy-1.1.3-trimethyl-5-aethinyl-cyclohexan
-
- 70487-02-4
- AKOS014244679
- DTXSID40283456
- RYPNPJHJLHWROV-UHFFFAOYSA-N
- EN300-1250291
- CS-0353120
- NSC-31640
- 1-Hydroxy-1-ethynyl-3,3,5-trimethyl-cyclohexane
- SCHEMBL11369018
-
- Inchi： 1S/C11H18O/c1-5-11(12)7-9(2)6-10(3,4)8-11/h1,9,12H,6-8H2,2-4H3
- InChI Key： RYPNPJHJLHWROV-UHFFFAOYSA-N
- SMILES： OC1(C#C)CC(C)CC(C)(C)C1
Computed Properties
- Exact Mass: 166.13584
- Monoisotopic Mass: 166.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.94
- Boiling Point: 214.2°C at 760 mmHg
- Flash Point: 86.1°C
- Refractive Index: 1.484
- PSA: 20.23
- LogP: 2.19690
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1250291-0.05g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 0.05g |
$827.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-0.1g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 0.1g |
$867.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-0.25g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 0.25g |
$906.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-0.5g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 0.5g |
$946.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-1.0g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 1g |
$986.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-2.5g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 2.5g |
$1931.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-5.0g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 5g |
$2858.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-10.0g |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 10g |
$4236.0 | 2023-06-08 | ||
| Enamine | EN300-1250291-50mg |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 50mg |
$528.0 | 2023-10-02 | ||
| Enamine | EN300-1250291-100mg |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol |
70487-02-4 | 100mg |
$553.0 | 2023-10-02 |
1-ethynyl-3,3,5-trimethylcyclohexan-1-ol Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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