dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate

C13H16O4 — CID 101269003

IUPACdimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
SMILESC=C/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C13H16O4/c1-5-6-10-8-13(7-9(10)2,11(14)16-3)12(15)17-4/h5-6H,1-2,7-8H2,3-4H3/b10-6-
InChIKeyYSZINNAYPKGYDO-POHAHGRESA-N
MW236.27 g/mol
LogP1.78
Rot. Bonds3

About dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate

dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate (PubChem CID 101269003) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
PubChem CID101269003
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namedimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
SMILESC=C/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C13H16O4/c1-5-6-10-8-13(7-9(10)2,11(14)16-3)12(15)17-4/h5-6H,1-2,7-8H2,3-4H3/b10-6-
InChIKeyYSZINNAYPKGYDO-POHAHGRESA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.78
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

dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
dimethyl (4Z)-3-methylidene-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]cyclopentane-1,1-dicarboxylate
CID 139038220
dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 44551908
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
dimethyl 3-methyl-4,5-dimethylidene-6,8-dihydro-1H-isochromene-7,7-dicarboxylate
CID 10565562
dimethyl (4E)-4-benzylidene-5-methylidene-6,8-dihydro-1H-isochromene-7,7-dicarboxylate
CID 101086457
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
diethyl (3E)-3-[(2-methoxyphenyl)methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 177457802
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate (CID 101269003) is dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate is C=C/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C.
What is the InChIKey of dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is YSZINNAYPKGYDO-POHAHGRESA-N. The full InChI is InChI=1S/C13H16O4/c1-5-6-10-8-13(7-9(10)2,11(14)16-3)12(15)17-4/h5-6H,1-2,7-8H2,3-4H3/b10-6-.
What are the key properties of dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate?
dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101269003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).