dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate

C15H20O5 — CID 102167287

IUPACdimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CCO/C(C)=C1\CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C15H20O5/c1-6-7-20-11(3)12-9-15(8-10(12)2,13(16)18-4)14(17)19-5/h6H,1-2,7-9H2,3-5H3/b12-11+
InChIKeyJYONRPAYJDKOQD-VAWYXSNFSA-N
MW280.32 g/mol
LogP2.15
Rot. Bonds5

About dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102167287) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102167287
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namedimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CCO/C(C)=C1\CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C15H20O5/c1-6-7-20-11(3)12-9-15(8-10(12)2,13(16)18-4)14(17)19-5/h6H,1-2,7-9H2,3-5H3/b12-11+
InChIKeyJYONRPAYJDKOQD-VAWYXSNFSA-N
XLogP2.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
diethyl 3-[(E)-pent-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198583
Dimethyl 1,4-dimethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 11851445
Diethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
CID 15827924
diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
CID 11219328
dimethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13809214
Dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
CID 14271087
Ethyl 1-(4-acetyloxybut-2-enyl)-2-oxocyclopentane-1-carboxylate
CID 85280944
diethyl 3-[(E)-but-2-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101063489

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate (CID 102167287) is dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate is C=CCO/C(C)=C1\CC(C(=O)OC)(C(=O)OC)CC1=C.
What is the InChIKey of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is JYONRPAYJDKOQD-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H20O5/c1-6-7-20-11(3)12-9-15(8-10(12)2,13(16)18-4)14(17)19-5/h6H,1-2,7-9H2,3-5H3/b12-11+.
What are the key properties of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoxyethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102167287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).