dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate

C14H18O4 — CID 12965691

IUPACdimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate
SMILESC=C(C)C1=CCC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C14H18O4/c1-9(2)11-6-7-14(8-10(11)3,12(15)17-4)13(16)18-5/h6H,1,3,7-8H2,2,4-5H3
InChIKeyDVRUYBDFJRQHMT-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.17
Rot. Bonds3

About dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate

dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate (PubChem CID 12965691) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate
PubChem CID12965691
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namedimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate
SMILESC=C(C)C1=CCC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C14H18O4/c1-9(2)11-6-7-14(8-10(11)3,12(15)17-4)13(16)18-5/h6H,1,3,7-8H2,2,4-5H3
InChIKeyDVRUYBDFJRQHMT-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate 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

Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate
CID 103426
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester
CID 89480
Dimethyl 2-(2-cyclohexen-1-yl)malonate
CID 10889207
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate
CID 11484264
Diethyl 4-ethenyl-5-methyl-3-methylidenecyclohept-4-ene-1,1-dicarboxylate
CID 11709095
Diethyl 4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 14140229
Dimethyl 1,7-dimethyl-1,2,4,6-tetrahydroindene-5,5-dicarboxylate
CID 72829017
Diethyl 4-(2-methylprop-1-enyl)cyclohex-3-ene-1,1-dicarboxylate
CID 101198581
Diethyl 2-(2-ethenylcyclohex-2-en-1-yl)propanedioate
CID 101490379
dimethyl 2-[(1R)-cyclohex-2-en-1-yl]propanedioate
CID 10867595
(s)-Dimethyl 2-(cyclohex-2-en-1-yl)malonate
CID 11117358

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate (CID 12965691) is dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate is C=C(C)C1=CCC(C(=O)OC)(C(=O)OC)CC1=C.
What is the InChIKey of dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate?
The InChIKey is DVRUYBDFJRQHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(2)11-6-7-14(8-10(11)3,12(15)17-4)13(16)18-5/h6H,1,3,7-8H2,2,4-5H3.
What are the key properties of dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate?
dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate has a molecular weight of 250.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylidene-4-prop-1-en-2-ylcyclohex-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 12965691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).