1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane

C24H42 — CID 22095285

IUPAC1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane
SMILESCCCC(CCC)=C1CC(C2CCCC2)CCC(C2CCCC2)C1
InChIInChI=1S/C24H42/c1-3-9-19(10-4-2)24-17-22(20-11-5-6-12-20)15-16-23(18-24)21-13-7-8-14-21/h20-23H,3-18H2,1-2H3
InChIKeyAVEFCFBYRDTPLI-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.07
Rot. Bonds6

About 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane

1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane (PubChem CID 22095285) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane.

Molecular Properties

Compound Name1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane
PubChem CID22095285
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane
SMILESCCCC(CCC)=C1CC(C2CCCC2)CCC(C2CCCC2)C1
InChIInChI=1S/C24H42/c1-3-9-19(10-4-2)24-17-22(20-11-5-6-12-20)15-16-23(18-24)21-13-7-8-14-21/h20-23H,3-18H2,1-2H3
InChIKeyAVEFCFBYRDTPLI-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane?
The IUPAC name of 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane (CID 22095285) is 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane.
What is the SMILES notation for 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane?
The canonical SMILES for 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane is CCCC(CCC)=C1CC(C2CCCC2)CCC(C2CCCC2)C1.
What is the InChIKey of 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane?
The InChIKey is AVEFCFBYRDTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-3-9-19(10-4-2)24-17-22(20-11-5-6-12-20)15-16-23(18-24)21-13-7-8-14-21/h20-23H,3-18H2,1-2H3.
What are the key properties of 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane?
1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane has a molecular weight of 330.60 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopentyl-3-heptan-4-ylidenecycloheptane is sourced from PubChem (CID 22095285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).