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(4-(Prop-1-en-2-yl)cyclohexyl)methanol

HCID 519954
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Basic information

CAS
22521-57-9
Standard SMILES
C=C(C)C1CCC(CO)CC1
InChIKey
GMYHXOPIKMGWOM-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Overview

[4-(prop-1-en-2-yl)cyclohexyl]methanol has been reported in Omphalotus olearius, Perilla frutescens var. acuta, and other organisms with data available.

Names & identifiers

Preferred name
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
IUPAC
(4-prop-1-en-2-ylcyclohexyl)methanol

Names & synonyms

(4-prop-1-en-2-ylcyclohexyl)methanol[4-(prop-1-en-2-yl)cyclohexyl]methanol(4-(prop-1-en-2-yl)cyclohexyl)methanolRefChem:1050382trans-Shisoolcis-isopulegone22521-57-918479-64-6Shisoolcis-p-Menth-8-en-7-oltrans-p-Menth-8-en-7-ol[(1s,4s)-4-(prop-1-en-2-yl)cyclohexyl]methanol
Show more names
SCHEMBL3129182SCHEMBL6756040SCHEMBL10886649SCHEMBL27667695(4-Isopropenylcyclohexyl)methanolGMYHXOPIKMGWOM-AOOOYVTPSA-NGMYHXOPIKMGWOM-MGCOHNPYSA-NGMYHXOPIKMGWOM-OKXAEBFBSA-N

Database identifiers

CAS
22521-57-9
PubChem CID
519954
DTXSID
DTXSID501268224
Nikkaji
J2.099.319G、J23.537G、J489.982B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
132

Experimental & physicochemical properties

Physical DescriptionSolid

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

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Related reactions

2 records
New reaction record
HRID 151548 reaction equation
HRID 151548As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 314215 reaction equation
HRID 314215As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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