methyl (2E)-2-(2-methylcyclohexylidene)propanoate

C11H18O2 — CID 11389767

IUPACmethyl (2E)-2-(2-methylcyclohexylidene)propanoate
SMILESCOC(=O)/C(C)=C1\CCCCC1C
InChIInChI=1S/C11H18O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyRXJBGQQELKRRDH-MDZDMXLPSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds1

About methyl (2E)-2-(2-methylcyclohexylidene)propanoate

methyl (2E)-2-(2-methylcyclohexylidene)propanoate (PubChem CID 11389767) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (2E)-2-(2-methylcyclohexylidene)propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-methylcyclohexylidene)propanoate
PubChem CID11389767
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (2E)-2-(2-methylcyclohexylidene)propanoate
SMILESCOC(=O)/C(C)=C1\CCCCC1C
InChIInChI=1S/C11H18O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyRXJBGQQELKRRDH-MDZDMXLPSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2E)-2-(2-methylcyclohexylidene)propanoate 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

Dimethyl 2-(cyclohexylmethylidene)propanedioate
CID 10857144
Acetic acid, 2-(3,3-dimethylcyclohexylidene)-, methyl ester, (2E)-
CID 6504883
Methyl (2E)-3-cyclohexylprop-2-enoate
CID 5355239
Ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 11264057
Ethyl 2-cyclohexylidenepropanoate
CID 12532726
Methyl 2-(3,3-dimethylcyclohexylidene)acetate
CID 121675
Acetic acid, (3,3-dimethylcyclohexylidene)-, methyl ester, (2Z)-
CID 6438293
Acetic acid, (2-methylcyclohexylidene)-, methyl ester, (Z)-
CID 10241197
Methyl 2-(2-methylcyclohexylidene)acetate
CID 10329709
Methyl (2-methylcyclohexylidene)acetate
CID 71356979
methyl (Z)-3-cyclohexylprop-2-enoate
CID 5786501
(E)-ethyl 3-cyclohexylpent-2-enoate
CID 11106639

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-methylcyclohexylidene)propanoate?
The IUPAC name of methyl (2E)-2-(2-methylcyclohexylidene)propanoate (CID 11389767) is methyl (2E)-2-(2-methylcyclohexylidene)propanoate.
What is the SMILES notation for methyl (2E)-2-(2-methylcyclohexylidene)propanoate?
The canonical SMILES for methyl (2E)-2-(2-methylcyclohexylidene)propanoate is COC(=O)/C(C)=C1\CCCCC1C.
What is the InChIKey of methyl (2E)-2-(2-methylcyclohexylidene)propanoate?
The InChIKey is RXJBGQQELKRRDH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h8H,4-7H2,1-3H3/b10-9+.
What are the key properties of methyl (2E)-2-(2-methylcyclohexylidene)propanoate?
methyl (2E)-2-(2-methylcyclohexylidene)propanoate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-methylcyclohexylidene)propanoate is sourced from PubChem (CID 11389767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).