Cas no 53889-46-6 (2-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)-)
53889-46-6 structure
Product Name:2-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)-
CAS No:53889-46-6
MF:C13H22O
MW:194.313184261322
CID:356117
PubChem ID:71364981
Update Time:2025-04-19
2-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)-
- [3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]methanol
- 53889-46-6
- [3-(4-Methylpent-3-en-1-yl)cyclohex-2-en-1-yl]methanol
- DTXSID10788423
-
- Inchi： 1S/C13H22O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,9,13-14H,3-4,6-8,10H2,1-2H3
- InChI Key： GZHJRNPLNUTCSY-UHFFFAOYSA-N
- SMILES： OCC1C=C(CC/C=C(\C)/C)CCC1
Computed Properties
- Exact Mass: 194.16716
- Monoisotopic Mass: 194.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 221
- 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: 3.2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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