Cas no 61314-58-7 (Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl-)
![Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl- structure](https://ossimg.kuujia.com/scimg/61500/61314-58-7x500.png)
61314-58-7 structure
Product Name:Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl-
CAS No:61314-58-7
MF:C11H20O
MW:168.275903701782
CID:484484
PubChem ID:71396981
Update Time:2025-04-19
Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl-
- (3,6,6-trimethyl-4-bicyclo[3.1.1]heptanyl)methanol
- (3,6,6-Trimethylbicyclo[3.1.1]heptan-2-yl)methanol
- 61314-58-7
- DTXSID40818500
-
- Inchi： 1S/C11H20O/c1-7-4-8-5-10(9(7)6-12)11(8,2)3/h7-10,12H,4-6H2,1-3H3
- InChI Key： KUCHRVAPHCAVCI-UHFFFAOYSA-N
- SMILES： OCC1C(C)CC2CC1C2(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: 1
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Bicyclo[3.1.1]heptane-2-methanol, 3,6,6-trimethyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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