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17502-34-0 | 2-Cyclohexen-1-ol, 5-(1,1-dimethylethyl)-, (1R,5S)-rel-
CAS No: 17502-34-0 Catalog No: AG00204D MDL No:
Product Description
Catalog Number:
AG00204D
Chemical Name:
2-Cyclohexen-1-ol, 5-(1,1-dimethylethyl)-, (1R,5S)-rel-
CAS Number:
17502-34-0
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1S,5R)-5-tert-butylcyclohex-2-en-1-ol
InChI:
InChI=1S/C10H18O/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6,8-9,11H,5,7H2,1-3H3/t8-,9-/m1/s1
InChI Key:
OOEPVZSVTNDRRX-RKDXNWHRSA-N
SMILES:
O[C@H]1C=CC[C@@H](C1)C(C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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