1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene

C16H22 — CID 142049182

IUPAC1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C=C/CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+
InChIKeyKJGNEWQPOZFUBG-SPJJUJCTSA-N
MW214.35 g/mol
LogP5.01
Rot. Bonds4

About 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene

1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene (PubChem CID 142049182) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
PubChem CID142049182
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C=C/CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+
InChIKeyKJGNEWQPOZFUBG-SPJJUJCTSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(Z,3E)-3-ethylidenehept-4-en-2-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

Related Compounds

1-methyl-4-[(E)-3-methylpent-3-en-2-yl]benzene
CID 166116462
N-(4-butan-2-ylphenyl)-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methylaniline
CID 143909827
[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane
CID 142967584
(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine
CID 143608288
(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine
CID 126723388
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
2-(4-methylphenyl)hexan-3-one
CID 83047098
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(2Z)-2-(chloromethylidene)-3-(4-methylphenyl)butan-1-amine;hydrochloride
CID 87224114
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976
2-(4-methylphenyl)propanoyl chloride
CID 14946079

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene (CID 142049182) is 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene is C/C=C(\C=C/CC)C(C)c1ccc(C)cc1.
What is the InChIKey of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The InChIKey is KJGNEWQPOZFUBG-SPJJUJCTSA-N. The full InChI is InChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+.
What are the key properties of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene has a molecular weight of 214.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 142049182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).