Cas no 50870-36-5 (3-Cyclohexene-1-methanol, 2-methyl-, cis-)
50870-36-5 structure
Product Name:3-Cyclohexene-1-methanol, 2-methyl-, cis-
CAS No:50870-36-5
MF:C8H14O
MW:126.196162700653
CID:363891
PubChem ID:71366410
Update Time:2025-04-19
3-Cyclohexene-1-methanol, 2-methyl-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-methanol, 2-methyl-, cis-
- DTXSID90789771
- 50870-36-5
- [(1R,2S)-2-Methylcyclohex-3-en-1-yl]methanol
-
- Inchi： 1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h2,4,7-9H,3,5-6H2,1H3/t7-,8-/m0/s1
- InChI Key： WCGADOFATYITBP-YUMQZZPRSA-N
- SMILES： OC[C@@H]1CCC=C[C@@H]1C
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 107
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-Cyclohexene-1-methanol, 2-methyl-, cis- Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
50870-36-5 (3-Cyclohexene-1-methanol, 2-methyl-, cis-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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