1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene

C15H24 — CID 5315468

IUPAC1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESCC(C)=CC/C=C(\C)C1CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+
InChIKeyYHBUQBJHSRGZNF-VGOFMYFVSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds3

About 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene

1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene (PubChem CID 5315468) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene.

Molecular Properties

Compound Name1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
PubChem CID5315468
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
SMILESCC(C)=CC/C=C(\C)C1CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+
InChIKeyYHBUQBJHSRGZNF-VGOFMYFVSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
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)-6-methylhepta-2,5-dien-2-yl]cyclohexene 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-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene?
The IUPAC name of 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene (CID 5315468) is 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene.
What is the SMILES notation for 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene?
The canonical SMILES for 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene is CC(C)=CC/C=C(\C)C1CC=C(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene?
The InChIKey is YHBUQBJHSRGZNF-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+.
What are the key properties of 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene?
1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene is sourced from PubChem (CID 5315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).