Cas no 94200-98-3 (6-(isopropyl)-β,3-dimethylcyclohexene-1-propan-1-ol)
94200-98-3 structure
Product Name:6-(isopropyl)-β,3-dimethylcyclohexene-1-propan-1-ol
CAS No:94200-98-3
MF:C14H26O
MW:210.355644702911
CID:1985207
PubChem ID:25076605
Update Time:2025-04-21
6-(isopropyl)-β,3-dimethylcyclohexene-1-propan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 6-(Isopropyl)-beta,3-dimethylcyclohexene-1-propan-1-ol
- 3-(6-isopropyl-3-methyl-1-cyclohexenyl)-2-methyl-propan-1-ol
- 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol
- ,3-dimethylcyclohexene-1-propan-1-ol
- 6-(isopropyl)-β
- 2-Methyl-3-[3-methyl-6-(propan-2-yl)cyclohex-1-en-1-yl]propan-1-ol
- NS00065798
- DTXSID80916155
- 94200-98-3
- EINECS 303-579-0
- 6-(isopropyl)-β,3-dimethylcyclohexene-1-propan-1-ol
-
- Inchi： 1S/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3
- InChI Key： KVQDTABZFLWZRH-UHFFFAOYSA-N
- SMILES： OCC(C)CC1=CC(C)CCC1C(C)C
Computed Properties
- Exact Mass: 210.198365
- Monoisotopic Mass: 210.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 3.8
Experimental Properties
- Density: 0.882
- Boiling Point: 295.7°C at 760 mmHg
- Flash Point: 106.5°C
- Refractive Index: 1.465
6-(isopropyl)-β,3-dimethylcyclohexene-1-propan-1-ol Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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