Cas no 90694-61-4 ((3-Methylcyclohex-4-ene-1,2-diyl)dimethanol)
90694-61-4 structure
Product Name:(3-Methylcyclohex-4-ene-1,2-diyl)dimethanol
CAS No:90694-61-4
MF:C9H16O2
MW:156.222143173218
CID:995038
PubChem ID:290658
Update Time:2025-04-20
(3-Methylcyclohex-4-ene-1,2-diyl)dimethanol Chemical and Physical Properties
Names and Identifiers
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- [6-(hydroxymethyl)-5-methylcyclohex-3-en-1-yl]methanol
- NSC-154762
- (3-methylcyclohex-4-ene-1,2-diyl)dimethanol
- NSC154762
- DTXSID50302869
- 90694-61-4
- (3-Methylcyclohex-4-ene-1,2-diyl)dimethanol
-
- Inchi： 1S/C9H16O2/c1-7-3-2-4-8(5-10)9(7)6-11/h2-3,7-11H,4-6H2,1H3
- InChI Key： WJVZNNFDEBPQEN-UHFFFAOYSA-N
- SMILES： OCC1C(C)C=CCC1CO
Computed Properties
- Exact Mass: 156.115029749g/mol
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 40.5?2
(3-Methylcyclohex-4-ene-1,2-diyl)dimethanol Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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