1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene

C15H18 — CID 145008709

IUPAC1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
SMILESC/C=C\C=C/CC=Cc1ccc(C)cc1
InChIInChI=1S/C15H18/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h3-6,8-13H,7H2,1-2H3/b4-3-,6-5-,9-8?
InChIKeyNITGXIYLXZLARW-RLPUFPPLSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds4

About 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene

1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene (PubChem CID 145008709) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
PubChem CID145008709
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
SMILESC/C=C\C=C/CC=Cc1ccc(C)cc1
InChIInChI=1S/C15H18/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h3-6,8-13H,7H2,1-2H3/b4-3-,6-5-,9-8?
InChIKeyNITGXIYLXZLARW-RLPUFPPLSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene 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

ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
4-(4-methylphenyl)but-3-ene-1-thiol
CID 170477722
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
5-(4-methylphenyl)pent-4-enal
CID 85344490
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
CID 14919714
5-(4-methylphenyl)pent-4-enenitrile
CID 174636399
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
(E)-2-methyl-5-(4-methylphenyl)pent-4-en-2-ol
CID 177408870

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene?
The IUPAC name of 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene (CID 145008709) is 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene.
What is the SMILES notation for 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene?
The canonical SMILES for 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene is C/C=C\C=C/CC=Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene?
The InChIKey is NITGXIYLXZLARW-RLPUFPPLSA-N. The full InChI is InChI=1S/C15H18/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h3-6,8-13H,7H2,1-2H3/b4-3-,6-5-,9-8?.
What are the key properties of 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene?
1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene is sourced from PubChem (CID 145008709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).