[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene

C22H24 — CID 144577995

IUPAC[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
SMILESC=C/C=C(\C=C)CC(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C22H24/c1-4-12-19(5-2)17-22(21-15-10-7-11-16-21)18(3)20-13-8-6-9-14-20/h4-16,18,22H,1-2,17H2,3H3/b19-12+
InChIKeyQHEDLEITVFIYSS-XDHOZWIPSA-N
MW288.43 g/mol
LogP6.26
Rot. Bonds7

About [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene

[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene (PubChem CID 144577995) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene.

Molecular Properties

Compound Name[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
PubChem CID144577995
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
SMILESC=C/C=C(\C=C)CC(c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C22H24/c1-4-12-19(5-2)17-22(21-15-10-7-11-16-21)18(3)20-13-8-6-9-14-20/h4-16,18,22H,1-2,17H2,3H3/b19-12+
InChIKeyQHEDLEITVFIYSS-XDHOZWIPSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene 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 [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene?
The IUPAC name of [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene (CID 144577995) is [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene.
What is the SMILES notation for [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene?
The canonical SMILES for [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene is C=C/C=C(\C=C)CC(c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene?
The InChIKey is QHEDLEITVFIYSS-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H24/c1-4-12-19(5-2)17-22(21-15-10-7-11-16-21)18(3)20-13-8-6-9-14-20/h4-16,18,22H,1-2,17H2,3H3/b19-12+.
What are the key properties of [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene?
[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene has a molecular weight of 288.43 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene is sourced from PubChem (CID 144577995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).