Cas no 72812-40-9 (3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-)
72812-40-9 structure
Product Name:3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
CAS No:72812-40-9
MF:C10H18O
MW:154.249323368073
CID:572174
PubChem ID:73556761
Update Time:2024-03-01
3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-methanol,1,2,4(or 1,3,5)-trimethyl-
- 1,2,4 al 1,3,5-Trimethyl-3-cyclohexene-1-methanol mixture
- 1,2,4(Or 1,3,5)-trimethylcyclohex-3-ene-1-methanol
- Isotrimethyltetrahydro benzyl alcohol
- 3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
-
- Inchi： 1S/C10H18O/c1-8-4-5-10(3,7-11)9(2)6-8/h6,9,11H,4-5,7H2,1-3H3
- InChI Key： OQQITXVHRIGINI-UHFFFAOYSA-N
- SMILES： OCC1(C)CCC(C)=CC1C
Computed Properties
- Exact Mass: 154.135765193g/mol
- Monoisotopic Mass: 154.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 1.9
Experimental Properties
- Density: 0.8704 (rough estimate)
3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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