dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate

C14H18O6 — CID 44551908

IUPACdimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C(/C)OC(C)=O
InChIInChI=1S/C14H18O6/c1-8-6-14(12(16)18-4,13(17)19-5)7-11(8)9(2)20-10(3)15/h1,6-7H2,2-5H3/b11-9+
InChIKeyWHWDNXDFTMUZSM-PKNBQFBNSA-N
MW282.29 g/mol
LogP1.51
Rot. Bonds3

About dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate

dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 44551908) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID44551908
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namedimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C(/C)OC(C)=O
InChIInChI=1S/C14H18O6/c1-8-6-14(12(16)18-4,13(17)19-5)7-11(8)9(2)20-10(3)15/h1,6-7H2,2-5H3/b11-9+
InChIKeyWHWDNXDFTMUZSM-PKNBQFBNSA-N
XLogP1.51
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.51
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'}

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Related Compounds

dimethyl (3Z)-3-(1-acetyloxyethylidene)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 102208222
dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
CID 101269003
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
dimethyl (4Z)-3-methylidene-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]cyclopentane-1,1-dicarboxylate
CID 139038220
dimethyl 3-methyl-4,5-dimethylidene-6,8-dihydro-1H-isochromene-7,7-dicarboxylate
CID 10565562
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
dimethyl 3-methyl-4-propanoylcyclopent-3-ene-1,1-dicarboxylate
CID 102519943
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
dimethyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
CID 58243403

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate (CID 44551908) is dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C(/C)OC(C)=O.
What is the InChIKey of dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is WHWDNXDFTMUZSM-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H18O6/c1-8-6-14(12(16)18-4,13(17)19-5)7-11(8)9(2)20-10(3)15/h1,6-7H2,2-5H3/b11-9+.
What are the key properties of dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 44551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).