CAS 117066-76-9 | 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)- | CAS Number 117066-76-9

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117066-76-9 | 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-

CAS No: 117066-76-9 Catalog No: AG000DO2 MDL No:

Product Description

Catalog Number:

AG000DO2

Chemical Name:

2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-

CAS Number:

117066-76-9

Molecular Formula:

C10H18O

Molecular Weight:

154.2493

IUPAC Name:

(1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

InChI:

InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m0/s1

InChI Key:

IZXYHAXVIZHGJV-UWVGGRQHSA-N

SMILES:

CC([C@@H]1CC[C@@](C=C1)(C)O)C

EC Number:

249-859-5

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.253g/mol

Monoisotopic Mass:

154.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Biotransformation of (-)-(R)-α-phellandrene: antimicrobial activity of its major metabolite.	Chemistry & biodiversity 20120801
The effect of temperature on the essential oil components of Salvia potentillifolia obtained by various methods.	Natural product communications 20090701