benzyl 2-(4-methylcyclohexyl)acetate

C16H22O2 — CID 147419326

IUPACbenzyl 2-(4-methylcyclohexyl)acetate
SMILESCC1CCC(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22O2/c1-13-7-9-14(10-8-13)11-16(17)18-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyDSDUICDVMHBKCX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds4

About benzyl 2-(4-methylcyclohexyl)acetate

benzyl 2-(4-methylcyclohexyl)acetate (PubChem CID 147419326) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is benzyl 2-(4-methylcyclohexyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-methylcyclohexyl)acetate
PubChem CID147419326
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namebenzyl 2-(4-methylcyclohexyl)acetate
SMILESCC1CCC(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22O2/c1-13-7-9-14(10-8-13)11-16(17)18-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyDSDUICDVMHBKCX-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-cyclohexylacetate;2-methylbenzene-1,3-dicarboxylic acid
CID 174482576
benzyl 2-[4-[2-[[(2R)-2-phenylmethoxypropanoyl]amino]acetyl]cyclohexyl]acetate
CID 159069113
benzyl 2-[(1S,3R)-3-acetylcyclohexyl]acetate
CID 158241246
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-[(1R,3S)-3-hydroxy-2,2-dimethylcyclopropyl]acetate
CID 11172363
benzyl 2-piperidin-4-ylacetate;4-methylbenzenesulfonic acid
CID 86753665
tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 171613468

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylcyclohexyl)acetate?
The IUPAC name of benzyl 2-(4-methylcyclohexyl)acetate (CID 147419326) is benzyl 2-(4-methylcyclohexyl)acetate.
What is the SMILES notation for benzyl 2-(4-methylcyclohexyl)acetate?
The canonical SMILES for benzyl 2-(4-methylcyclohexyl)acetate is CC1CCC(CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-(4-methylcyclohexyl)acetate?
The InChIKey is DSDUICDVMHBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-13-7-9-14(10-8-13)11-16(17)18-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3.
What are the key properties of benzyl 2-(4-methylcyclohexyl)acetate?
benzyl 2-(4-methylcyclohexyl)acetate has a molecular weight of 246.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylcyclohexyl)acetate is sourced from PubChem (CID 147419326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).