1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene

C14H16 — CID 142152757

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(=C\C=C/C)c1ccc(C)cc1
InChIInChI=1S/C14H16/c1-4-6-7-13(5-2)14-10-8-12(3)9-11-14/h4-11H,2H2,1,3H3/b6-4-,13-7+
InChIKeyKAYMRMQXLSSRIV-FMEHWCPISA-N
MW184.28 g/mol
LogP4.14
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene

1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene (PubChem CID 142152757) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
PubChem CID142152757
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(=C\C=C/C)c1ccc(C)cc1
InChIInChI=1S/C14H16/c1-4-6-7-13(5-2)14-10-8-12(3)9-11-14/h4-11H,2H2,1,3H3/b6-4-,13-7+
InChIKeyKAYMRMQXLSSRIV-FMEHWCPISA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene 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-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene (CID 142152757) is 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene is C=C/C(=C\C=C/C)c1ccc(C)cc1.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene?
The InChIKey is KAYMRMQXLSSRIV-FMEHWCPISA-N. The full InChI is InChI=1S/C14H16/c1-4-6-7-13(5-2)14-10-8-12(3)9-11-14/h4-11H,2H2,1,3H3/b6-4-,13-7+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene?
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene has a molecular weight of 184.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene is sourced from PubChem (CID 142152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).