Cas no 62222-99-5 (1-Cyclohexene-1-methanol, 5-(1,1-dimethylethyl)-)
62222-99-5 structure
Product Name:1-Cyclohexene-1-methanol, 5-(1,1-dimethylethyl)-
CAS No:62222-99-5
MF:C11H20O
MW:168.275903701782
CID:453757
PubChem ID:13110453
Update Time:2025-04-19
1-Cyclohexene-1-methanol, 5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-methanol, 5-(1,1-dimethylethyl)-
- (5-tert-butylcyclohexen-1-yl)methanol
- 62222-99-5
- (5-tert-Butylcyclohex-1-en-1-yl)methanol
- DTXSID90518523
-
- Inchi： 1S/C11H20O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h5,10,12H,4,6-8H2,1-3H3
- InChI Key： OXDGVJLNVLLJOI-UHFFFAOYSA-N
- SMILES： OCC1=CCCC(C1)C(C)(C)C
Computed Properties
- Exact Mass: 168.1515
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Cyclohexene-1-methanol, 5-(1,1-dimethylethyl)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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