Cas no 62603-27-4 (3-Cyclohexene-1-methanol, 3,6-dimethyl-5-(2-methyl-2-butenyl)-)
62603-27-4 structure
Product Name:3-Cyclohexene-1-methanol, 3,6-dimethyl-5-(2-methyl-2-butenyl)-
CAS No:62603-27-4
MF:C14H24O
MW:208.339764595032
CID:438562
PubChem ID:71384774
Update Time:2025-04-19
3-Cyclohexene-1-methanol, 3,6-dimethyl-5-(2-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-methanol, 3,6-dimethyl-5-(2-methyl-2-butenyl)-
- [3,6-dimethyl-5-(2-methylbut-2-enyl)cyclohex-3-en-1-yl]methanol
- [3,6-Dimethyl-5-(2-methylbut-2-en-1-yl)cyclohex-3-en-1-yl]methanol
- DTXSID90807025
- 62603-27-4
-
- Inchi： 1S/C14H24O/c1-5-10(2)6-13-7-11(3)8-14(9-15)12(13)4/h5,7,12-15H,6,8-9H2,1-4H3
- InChI Key： JVMQQDSMYKCHQT-UHFFFAOYSA-N
- SMILES： OCC1CC(C)=CC(CC(=CC)C)C1C
Computed Properties
- Exact Mass: 208.18282
- Monoisotopic Mass: 208.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-Cyclohexene-1-methanol, 3,6-dimethyl-5-(2-methyl-2-butenyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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