Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester

HCID 547752
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Basic information

CAS
97259-73-9
Standard SMILES
CC(=O)OCC1=CCC(C(C)(C)O)CC1
InChIKey
GAJGPKMCPGWYGC-UHFFFAOYSA-N
Molecular formula
C12H20O3
Average molar mass
212.28 g/mol

Names & identifiers

Preferred name
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
IUPAC
[4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methyl acetate

Names & synonyms

SCHEMBL84668557-acetoxy-p-menth-1-en-8-olAcetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester[4-(1-Hydroxy-1-methylethyl)-1-cyclohexen-1-yl]methyl acetate #

Database identifiers

CAS
97259-73-9
PubChem CID
547752
Nikkaji
J333.711A

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Related reactions

1 records
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Compound notes

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