1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene

C23H34 — CID 15545601

IUPAC1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cccc(C)c1
InChIInChI=1S/C23H34/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-16-23-17-9-15-22(5)18-23/h9-10,12,14-15,17-18H,6-8,11,13,16H2,1-5H3/b20-12+,21-14+
InChIKeyMWKLPYLIXRGXIN-KDXVVQHGSA-N
MW310.53 g/mol
LogP7.35
Rot. Bonds9

About 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene

1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene (PubChem CID 15545601) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
PubChem CID15545601
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cccc(C)c1
InChIInChI=1S/C23H34/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-16-23-17-9-15-22(5)18-23/h9-10,12,14-15,17-18H,6-8,11,13,16H2,1-5H3/b20-12+,21-14+
InChIKeyMWKLPYLIXRGXIN-KDXVVQHGSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-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

1-propan-2-yl-3-[(3E,7E)-4,8,10-trimethylundeca-3,7,9-trienyl]benzene
CID 135074710
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
5,9,13-trimethyltetradeca-4,8,12-trienyl 3-methylbenzenesulfonate
CID 57270588
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
tripotassium;hydride;(E)-6-methyl-8-(3-methylphenyl)-1-phosphonooct-5-ene-1-sulfonic acid
CID 174330246
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-(4-methylpentyl)anthracene-9,10-dione
CID 118545562
1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]benzene
CID 139586981
3-(3-methylphenyl)propan-1-imine
CID 88993030
3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole
CID 71815920
3-(4,8-dimethylnona-3,7-dienyl)-5-methyl-1,2-oxazole
CID 123367070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene?
The IUPAC name of 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene (CID 15545601) is 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene?
The canonical SMILES for 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene?
The InChIKey is MWKLPYLIXRGXIN-KDXVVQHGSA-N. The full InChI is InChI=1S/C23H34/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-16-23-17-9-15-22(5)18-23/h9-10,12,14-15,17-18H,6-8,11,13,16H2,1-5H3/b20-12+,21-14+.
What are the key properties of 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene?
1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene has a molecular weight of 310.53 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene is sourced from PubChem (CID 15545601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).