1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

C22H32 — CID 101222163

IUPAC1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(C)cc1
InChIInChI=1S/C22H32/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-15-22-16-13-21(5)14-17-22/h8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3/b19-10+,20-12+
InChIKeyZZZNDEJXAFDELW-FIOGTWENSA-N
MW296.50 g/mol
LogP6.96
Rot. Bonds8

About 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (PubChem CID 101222163) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
PubChem CID101222163
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(C)cc1
InChIInChI=1S/C22H32/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-15-22-16-13-21(5)14-17-22/h8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3/b19-10+,20-12+
InChIKeyZZZNDEJXAFDELW-FIOGTWENSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-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

4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]phenyl] acetate
CID 57454428
1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
CID 162899146
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
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylaniline
CID 173081680
1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 176697380
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The IUPAC name of 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (CID 101222163) is 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The canonical SMILES for 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The InChIKey is ZZZNDEJXAFDELW-FIOGTWENSA-N. The full InChI is InChI=1S/C22H32/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-15-22-16-13-21(5)14-17-22/h8,10,12-14,16-17H,6-7,9,11,15H2,1-5H3/b19-10+,20-12+.
What are the key properties of 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene has a molecular weight of 296.50 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is sourced from PubChem (CID 101222163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).