diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate

C15H22O4 — CID 11219328

IUPACdiethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CC
InChIInChI=1S/C15H22O4/c1-5-8-12-10-15(9-11(12)4,13(16)18-6-2)14(17)19-7-3/h8H,4-7,9-10H2,1-3H3/b12-8-
InChIKeyNISBGAMNCWPXOZ-WQLSENKSSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

About diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate

diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate (PubChem CID 11219328) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
PubChem CID11219328
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namediethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CC
InChIInChI=1S/C15H22O4/c1-5-8-12-10-15(9-11(12)4,13(16)18-6-2)14(17)19-7-3/h8H,4-7,9-10H2,1-3H3/b12-8-
InChIKeyNISBGAMNCWPXOZ-WQLSENKSSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
Dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate (CID 11219328) is diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CC.
What is the InChIKey of diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is NISBGAMNCWPXOZ-WQLSENKSSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-8-12-10-15(9-11(12)4,13(16)18-6-2)14(17)19-7-3/h8H,4-7,9-10H2,1-3H3/b12-8-.
What are the key properties of diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate?
diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11219328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).