ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate

C11H18O2 — CID 10726121

IUPACethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCCC=C1C
InChIInChI=1S/C11H18O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h6,10H,3-5,7-8H2,1-2H3
InChIKeyPKKJSYABSOYSEL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate

ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate (PubChem CID 10726121) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
PubChem CID10726121
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCCC=C1C
InChIInChI=1S/C11H18O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h6,10H,3-5,7-8H2,1-2H3
InChIKeyPKKJSYABSOYSEL-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
CID 101358283
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
CID 177482165
ethyl 2-(2,3-dioxocyclopentyl)acetate
CID 91389872
ethyl 2-(3-methyl-2-oxocyclopentyl)acetate
CID 14039356
ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate
CID 102516004
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
tert-butyl 2-(2-bromocyclohex-2-en-1-yl)acetate
CID 10880330
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl (6S)-6-chlorocyclohexene-1-carboxylate
CID 124705412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate (CID 10726121) is ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate is CCOC(=O)CC1CCCC=C1C.
What is the InChIKey of ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate?
The InChIKey is PKKJSYABSOYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate?
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate is sourced from PubChem (CID 10726121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).