Cas no 63661-47-2 (Cyclohexanol, methyl(1-methylethyl)-, acetate)
63661-47-2 structure
Product Name:Cyclohexanol, methyl(1-methylethyl)-, acetate
CAS No:63661-47-2
MF:C12H24O3
MW:216.317164421082
CID:1655787
PubChem ID:71380991
Update Time:2025-04-21
Cyclohexanol, methyl(1-methylethyl)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- acetic acid,2-methyl-1-propan-2-ylcyclohexan-1-ol
- Cyclohexanol, methyl(1-methylethyl)-, acetate
- DTXSID00803472
- 63661-47-2
- Acetic acid--2-methyl-1-(propan-2-yl)cyclohexan-1-ol (1/1)
-
- Inchi: 1S/C10H20O.C2H4O2/c1-8(2)10(11)7-5-4-6-9(10)3;1-2(3)4/h8-9,11H,4-7H2,1-3H3;1H3,(H,3,4)
- InChI Key: HKODHEBFUMAVSW-UHFFFAOYSA-N
- SMILES: OC1(C(C)C)CCCCC1C.OC(C)=O
Computed Properties
- Exact Mass: 216.17262
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 162
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Cyclohexanol, methyl(1-methylethyl)-, acetate Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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