dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate

C11H14O4 — CID 86152647

IUPACdimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate
SMILESC=C1C=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C11H14O4/c1-8-5-4-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3
InChIKeyTUUACMNJRILERQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds2

About dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate

dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate (PubChem CID 86152647) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate
PubChem CID86152647
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate
SMILESC=C1C=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C11H14O4/c1-8-5-4-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3
InChIKeyTUUACMNJRILERQ-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-methylcyclohex-3-ene-1-carboxylate
CID 110867
Diethyl 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Methyl 1-formylcyclohex-3-ene-1-carboxylate
CID 138987561
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
dimethyl 2-(2-cyclohexylideneethenyl)-2-[(2E,4E)-hexa-2,4-dienyl]propanedioate
CID 10914146
dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
CID 10978399
diethyl 2-[(E)-but-2-enyl]-2-but-3-enylpropanedioate
CID 11414508
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
dimethyl 2-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 12772403
Diethyl 4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 14140229

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate (CID 86152647) is dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate is C=C1C=CCC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate?
The InChIKey is TUUACMNJRILERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-5-4-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3.
What are the key properties of dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate?
dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylidenecyclohex-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 86152647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).