dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate

C20H24O4 — CID 15940750

IUPACdimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\CC)c1ccccc1
InChIInChI=1S/C20H24O4/c1-5-14-12-20(18(21)23-3,19(22)24-4)13-17(14)16(6-2)15-10-8-7-9-11-15/h5,7-11,14H,1,6,12-13H2,2-4H3/b17-16-
InChIKeyNDGRJLNGJJJMAI-MSUUIHNZSA-N
MW328.41 g/mol
LogP3.78
Rot. Bonds5

About dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 15940750) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate
PubChem CID15940750
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namedimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\CC)c1ccccc1
InChIInChI=1S/C20H24O4/c1-5-14-12-20(18(21)23-3,19(22)24-4)13-17(14)16(6-2)15-10-8-7-9-11-15/h5,7-11,14H,1,6,12-13H2,2-4H3/b17-16-
InChIKeyNDGRJLNGJJJMAI-MSUUIHNZSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (3Z)-3-(1-acetyloxyethylidene)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 102208222
dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate
CID 102214144
diethyl (1R)-1-ethenyl-1,2,4,9-tetrahydrocarbazole-3,3-dicarboxylate
CID 102314186
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
trans-dimethyl (3S,4R)-3-[dimethyl(phenyl)silyl]oxy-4-prop-2-enylcyclopentane-1,1-dicarboxylate
CID 101021977
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
tetramethyl (8aS,8bS)-4,5-diphenyl-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 135054695
diethyl (4R)-4-ethenyl-2-phenyl-1,4,5,7-tetrahydroindole-6,6-dicarboxylate
CID 122379673
dimethyl (4E)-3-(2-methyl-4-phenylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10627967
1-[(1R,2S,4R,5E)-2-hydroxy-2-methyl-5-(1-phenylpropylidene)-3-propan-2-ylidene-1-bicyclo[2.2.1]heptanyl]ethanone
CID 102578176
dimethyl (3R)-3-[(S)-hydroxy(phenyl)methyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11392540

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate (CID 15940750) is dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate is C=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\CC)c1ccccc1.
What is the InChIKey of dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is NDGRJLNGJJJMAI-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-14-12-20(18(21)23-3,19(22)24-4)13-17(14)16(6-2)15-10-8-7-9-11-15/h5,7-11,14H,1,6,12-13H2,2-4H3/b17-16-.
What are the key properties of dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 15940750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).