4-[(E)-2-cyclopentylethenyl]benzaldehyde

C14H16O — CID 58749933

IUPAC4-[(E)-2-cyclopentylethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/C2CCCC2)cc1
InChIInChI=1S/C14H16O/c15-11-14-9-7-13(8-10-14)6-5-12-3-1-2-4-12/h5-12H,1-4H2/b6-5+
InChIKeyPCCHDLNLUHWHQZ-AATRIKPKSA-N
MW200.28 g/mol
LogP3.70
Rot. Bonds3

About 4-[(E)-2-cyclopentylethenyl]benzaldehyde

4-[(E)-2-cyclopentylethenyl]benzaldehyde (PubChem CID 58749933) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[(E)-2-cyclopentylethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-cyclopentylethenyl]benzaldehyde
PubChem CID58749933
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name4-[(E)-2-cyclopentylethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/C2CCCC2)cc1
InChIInChI=1S/C14H16O/c15-11-14-9-7-13(8-10-14)6-5-12-3-1-2-4-12/h5-12H,1-4H2/b6-5+
InChIKeyPCCHDLNLUHWHQZ-AATRIKPKSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-cyclopentylethenyl]benzaldehyde 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 4-[(E)-2-cyclopentylethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-cyclopentylethenyl]benzaldehyde (CID 58749933) is 4-[(E)-2-cyclopentylethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-cyclopentylethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-cyclopentylethenyl]benzaldehyde is O=Cc1ccc(/C=C/C2CCCC2)cc1.
What is the InChIKey of 4-[(E)-2-cyclopentylethenyl]benzaldehyde?
The InChIKey is PCCHDLNLUHWHQZ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H16O/c15-11-14-9-7-13(8-10-14)6-5-12-3-1-2-4-12/h5-12H,1-4H2/b6-5+.
What are the key properties of 4-[(E)-2-cyclopentylethenyl]benzaldehyde?
4-[(E)-2-cyclopentylethenyl]benzaldehyde has a molecular weight of 200.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclopentylethenyl]benzaldehyde is sourced from PubChem (CID 58749933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).