diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate

C14H20O4 — CID 10890391

IUPACdiethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C\C
InChIInChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,4,6-9H2,1-3H3/b11-5+
InChIKeyMPLZRDNASIJTOL-VZUCSPMQSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds4

About diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate

diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 10890391) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID10890391
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namediethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C\C
InChIInChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,4,6-9H2,1-3H3/b11-5+
InChIKeyMPLZRDNASIJTOL-VZUCSPMQSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
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

Diethyl 2-cyclopenten-1-ylmalonate
CID 96203
3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, diethyl ester
CID 10922664
Diethyl 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, diethyl ester
CID 11053770
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Diethyl 3-methylene-4-vinylcyclopentane-1,1-dicarboxylate
CID 11776993
Diethyl cyclohept-3-ene-1,1-dicarboxylate
CID 86183831
Diethyl allyl-2-cyclopenten-1-ylmalonate
CID 15162980
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl 6-formyl-6-methyl-3,5-dihydro-1H-indene-2,2-dicarboxylate
CID 10757024
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
1,1-Cyclopentanedicarboxylic acid, 3,4-bis(methylene)-, diethyl ester
CID 11075489

Frequently Asked Questions

What is the IUPAC name of diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate (CID 10890391) is diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C\C.
What is the InChIKey of diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is MPLZRDNASIJTOL-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,4,6-9H2,1-3H3/b11-5+.
What are the key properties of diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate?
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10890391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).