[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene

C16H20 — CID 142292724

IUPAC[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+
InChIKeyFHBRKUZQCOGOQC-WIIVBELUSA-N
MW212.34 g/mol
LogP4.65
Rot. Bonds4

About [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene

[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene (PubChem CID 142292724) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
PubChem CID142292724
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+
InChIKeyFHBRKUZQCOGOQC-WIIVBELUSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-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 [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The IUPAC name of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene (CID 142292724) is [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene.
What is the SMILES notation for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The canonical SMILES for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene is C=C/C(=C\C=C/C)C(C)(C)c1ccccc1.
What is the InChIKey of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The InChIKey is FHBRKUZQCOGOQC-WIIVBELUSA-N. The full InChI is InChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+.
What are the key properties of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene is sourced from PubChem (CID 142292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).