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

C17H26O4 — CID 102511660

IUPACdiethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CCCC
InChIInChI=1S/C17H26O4/c1-5-8-9-10-14-12-17(11-13(14)4,15(18)20-6-2)16(19)21-7-3/h10H,4-9,11-12H2,1-3H3/b14-10-
InChIKeyHHLGLOBIGVHIBR-UVTDQMKNSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds7

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

diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate (PubChem CID 102511660) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate
PubChem CID102511660
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namediethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CCCC
InChIInChI=1S/C17H26O4/c1-5-8-9-10-14-12-17(11-13(14)4,15(18)20-6-2)16(19)21-7-3/h10H,4-9,11-12H2,1-3H3/b14-10-
InChIKeyHHLGLOBIGVHIBR-UVTDQMKNSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-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 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
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
Diethyl 2-(5-methyl-2-methylidenehex-4-enyl)propanedioate
CID 11334681
diethyl 2-[(E)-but-2-enyl]-2-but-3-enylpropanedioate
CID 11414508
Diethyl 4-ethenyl-5-methyl-3-methylidenecyclohept-4-ene-1,1-dicarboxylate
CID 11709095
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, diethyl ester
CID 11806372

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate (CID 102511660) is diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/CCCC.
What is the InChIKey of diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is HHLGLOBIGVHIBR-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-8-9-10-14-12-17(11-13(14)4,15(18)20-6-2)16(19)21-7-3/h10H,4-9,11-12H2,1-3H3/b14-10-.
What are the key properties of diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate?
diethyl (4Z)-3-methylidene-4-pentylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.57, 7 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-pentylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102511660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).