1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene

C15H18 — CID 144990301

IUPAC1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C(C)\C(=C/C)c1ccccc1C
InChIInChI=1S/C15H18/c1-5-9-12(3)14(6-2)15-11-8-7-10-13(15)4/h5-11H,1H2,2-4H3/b12-9-,14-6+
InChIKeyLJEUZTNBGRVGTK-TTXSMSCVSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds3

About 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene

1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene (PubChem CID 144990301) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
PubChem CID144990301
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C(C)\C(=C/C)c1ccccc1C
InChIInChI=1S/C15H18/c1-5-9-12(3)14(6-2)15-11-8-7-10-13(15)4/h5-11H,1H2,2-4H3/b12-9-,14-6+
InChIKeyLJEUZTNBGRVGTK-TTXSMSCVSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene?
The IUPAC name of 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene (CID 144990301) is 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene is C=C/C=C(C)\C(=C/C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene?
The InChIKey is LJEUZTNBGRVGTK-TTXSMSCVSA-N. The full InChI is InChI=1S/C15H18/c1-5-9-12(3)14(6-2)15-11-8-7-10-13(15)4/h5-11H,1H2,2-4H3/b12-9-,14-6+.
What are the key properties of 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene?
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 144990301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).