(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

C15H24 — CID 5352437

IUPAC(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
SMILESCC(C)=CCC/C(C)=C1/CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-
InChIKeyXBGUIVFBMBVUEG-PFONDFGASA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds3

About (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene (PubChem CID 5352437) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene.

Molecular Properties

Compound Name(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
PubChem CID5352437
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
SMILESCC(C)=CCC/C(C)=C1/CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-
InChIKeyXBGUIVFBMBVUEG-PFONDFGASA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)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 (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene?
The IUPAC name of (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene (CID 5352437) is (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene.
What is the SMILES notation for (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene?
The canonical SMILES for (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene is CC(C)=CCC/C(C)=C1/CC=C(C)CC1.
What is the InChIKey of (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene?
The InChIKey is XBGUIVFBMBVUEG-PFONDFGASA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-.
What are the key properties of (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene?
(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene is sourced from PubChem (CID 5352437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).