Cas no 3858-45-5 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, (1R,2S,5R)-)
3858-45-5 structure
Product Name:Cyclohexanol,2-methyl-5-(1-methylethyl)-, (1R,2S,5R)-
CAS No:3858-45-5
MF:C10H20O
MW:156.265203475952
CID:313415
PubChem ID:7054173
Update Time:2025-04-19
Cyclohexanol,2-methyl-5-(1-methylethyl)-, (1R,2S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-methyl-5-(1-methylethyl)-, (1R,2S,5R)-
- DTXSID001020778
- [1R-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexan-1-ol
- DTXSID701020779
- 42846-32-2
- 3858-45-5
- (+)-Neoisocarvomenthol
-
- Inchi： 1S/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
- InChI Key： ULJXKUJMXIVDOY-IVZWLZJFSA-N
- SMILES： O[C@H]1[C@@H](C)CC[C@@H](C(C)C)C1
Computed Properties
- Exact Mass: 156.1515
- Monoisotopic Mass: 156.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 3
Experimental Properties
- Density: 0.89
- Boiling Point: 222°Cat760mmHg
- Flash Point: 86.7°C
- PSA: 20.23
Cyclohexanol,2-methyl-5-(1-methylethyl)-, (1R,2S,5R)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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