methyl 3-methylcyclohex-3-ene-1-carboxylate

C9H14O2 — CID 10909785

IUPACmethyl 3-methylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CCC=C(C)C1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h4,8H,3,5-6H2,1-2H3
InChIKeyALWNXIRSKYWVFP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About methyl 3-methylcyclohex-3-ene-1-carboxylate

methyl 3-methylcyclohex-3-ene-1-carboxylate (PubChem CID 10909785) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 3-methylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylcyclohex-3-ene-1-carboxylate
PubChem CID10909785
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 3-methylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CCC=C(C)C1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h4,8H,3,5-6H2,1-2H3
InChIKeyALWNXIRSKYWVFP-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 3-methylcyclohex-3-ene-1-carboxylate 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

Citronellyl butyrate
CID 8835
Methyl rhodinolate
CID 61290
Citronellyl valerate
CID 61416
Citronellyl isovalerate
CID 111440
3-Cyclohexene-1-carboxylic acid, methyl ester
CID 96926
3-Cyclohexene-1-carboxylic acid, ethyl ester
CID 85803
3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate
CID 106748
Methyl 1-methylcyclohex-3-ene-1-carboxylate
CID 110867
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
3-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 12082921
Methyl cyclohex-2-ene-1-carboxylate
CID 11007985

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 3-methylcyclohex-3-ene-1-carboxylate (CID 10909785) is methyl 3-methylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 3-methylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 3-methylcyclohex-3-ene-1-carboxylate is COC(=O)C1CCC=C(C)C1.
What is the InChIKey of methyl 3-methylcyclohex-3-ene-1-carboxylate?
The InChIKey is ALWNXIRSKYWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h4,8H,3,5-6H2,1-2H3.
What are the key properties of methyl 3-methylcyclohex-3-ene-1-carboxylate?
methyl 3-methylcyclohex-3-ene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10909785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).