2,4,7-trimethylocta-2,4,6-triene

C11H18 — CID 162298746

IUPAC2,4,7-trimethylocta-2,4,6-triene
SMILESCC(C)=CC=C(C)C=C(C)C
InChIInChI=1S/C11H18/c1-9(2)6-7-11(5)8-10(3)4/h6-8H,1-5H3
InChIKeyWBDLGJYQBCSVBW-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds2

About 2,4,7-trimethylocta-2,4,6-triene

2,4,7-trimethylocta-2,4,6-triene (PubChem CID 162298746) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,4,7-trimethylocta-2,4,6-triene.

Molecular Properties

Compound Name2,4,7-trimethylocta-2,4,6-triene
PubChem CID162298746
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2,4,7-trimethylocta-2,4,6-triene
SMILESCC(C)=CC=C(C)C=C(C)C
InChIInChI=1S/C11H18/c1-9(2)6-7-11(5)8-10(3)4/h6-8H,1-5H3
InChIKeyWBDLGJYQBCSVBW-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,7-trimethylocta-2,4,6-triene 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

2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
CID 173202075
2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
CID 173202044
3,5-dimethylhexa-2,4-dienal
CID 71335802
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318
5-methylhexa-2,4-dien-2-ol
CID 173388590
(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid
CID 145123448
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethylocta-2,4,6-triene?
The IUPAC name of 2,4,7-trimethylocta-2,4,6-triene (CID 162298746) is 2,4,7-trimethylocta-2,4,6-triene.
What is the SMILES notation for 2,4,7-trimethylocta-2,4,6-triene?
The canonical SMILES for 2,4,7-trimethylocta-2,4,6-triene is CC(C)=CC=C(C)C=C(C)C.
What is the InChIKey of 2,4,7-trimethylocta-2,4,6-triene?
The InChIKey is WBDLGJYQBCSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9(2)6-7-11(5)8-10(3)4/h6-8H,1-5H3.
What are the key properties of 2,4,7-trimethylocta-2,4,6-triene?
2,4,7-trimethylocta-2,4,6-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethylocta-2,4,6-triene is sourced from PubChem (CID 162298746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).