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

C15H18O6 — CID 44550084

IUPACdimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC(=O)O/C(C)=C1\CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C15H18O6/c1-6-12(16)21-10(3)11-8-15(7-9(11)2,13(17)19-4)14(18)20-5/h6H,1-2,7-8H2,3-5H3/b11-10+
InChIKeyGUFBYIMHPGAHTE-ZHACJKMWSA-N
MW294.30 g/mol
LogP1.67
Rot. Bonds4

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

dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 44550084) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID44550084
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namedimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC(=O)O/C(C)=C1\CC(C(=O)OC)(C(=O)OC)CC1=C
InChIInChI=1S/C15H18O6/c1-6-12(16)21-10(3)11-8-15(7-9(11)2,13(17)19-4)14(18)20-5/h6H,1-2,7-8H2,3-5H3/b11-10+
InChIKeyGUFBYIMHPGAHTE-ZHACJKMWSA-N
XLogP1.67
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
Dimethyl 1,4-dimethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 11851445
Dimethyl 1,4-diethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101218246
diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
CID 11219328
dimethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13809214
Dimethyl 3-oxo-1,4-di(propan-2-yl)-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101218247
diethyl (3Z)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 101355863
dimethyl (3Z)-3-(2-methoxy-2-oxoethylidene)cyclopentane-1,1-dicarboxylate
CID 101442461
diethyl (3E,4E)-3,4-bis(2-methoxy-2-oxoethylidene)cyclopentane-1,1-dicarboxylate
CID 101688549
dimethyl (3aR)-6-(2,2-dimethylpropanoyloxy)-3,3a-dihydro-1H-azulene-2,2-dicarboxylate
CID 102129904
Dimethyl 4,4-bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate
CID 129723659
ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate
CID 134842056

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate (CID 44550084) is dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate is C=CC(=O)O/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-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is GUFBYIMHPGAHTE-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H18O6/c1-6-12(16)21-10(3)11-8-15(7-9(11)2,13(17)19-4)14(18)20-5/h6H,1-2,7-8H2,3-5H3/b11-10+.
What are the key properties of dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 294.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 44550084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).