2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene

C19H28 — CID 173446962

IUPAC2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
SMILESCC(C)=CCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H28/c1-14(2)9-7-8-10-15(3)13-19-17(5)11-16(4)12-18(19)6/h9-12H,7-8,13H2,1-6H3
InChIKeyHHGLFYJTBXYCSF-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.85
Rot. Bonds5

About 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene

2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene (PubChem CID 173446962) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
PubChem CID173446962
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
SMILESCC(C)=CCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H28/c1-14(2)9-7-8-10-15(3)13-19-17(5)11-16(4)12-18(19)6/h9-12H,7-8,13H2,1-6H3
InChIKeyHHGLFYJTBXYCSF-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene 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

N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599217
N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599102
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 59672021
2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
CID 58339600
(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
3,4-dimethyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,2-diol
CID 90355725
2-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,4-diol
CID 74960803
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene (CID 173446962) is 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene is CC(C)=CCCC=C(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene?
The InChIKey is HHGLFYJTBXYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-14(2)9-7-8-10-15(3)13-19-17(5)11-16(4)12-18(19)6/h9-12H,7-8,13H2,1-6H3.
What are the key properties of 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene?
2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 173446962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).