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Trans-4-Isopropylcyclohexanol

CAT: 0127-OR1077487Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1077487Size:1 g
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CAS Number
15890-36-5
Purity
>93.0%
Smiles
CC (C) C1CCC (CC1) O

Chemical Information

4-Isopropylcyclohexanol

4-(Propan-2-yl)cyclohexan-1-ol has been reported in Zingiber mioga with data available.

CAS Number15890-36-5
PubChem CID20739
IUPAC Name4-propan-2-ylcyclohexan-1-ol
Molecular FormulaC9H18O
Molecular Weight142.24
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity90
SMILES
CC(C)C1CCC(CC1)O
InChI
InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
InChIKey
DKKRDMLKVSKFMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropylcyclohexanol
CAS: 15890-36-5
CID: 20739
Formula: C9H18O
MW: 142.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.24
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass142.135765193
Monoisotopic Mass142.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes