1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene

C15H24O — CID 14788798

IUPAC1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene
SMILESCOC1=CCC(C(C)CCC=C(C)C)=CC1
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)14-8-10-15(16-4)11-9-14/h6,8,11,13H,5,7,9-10H2,1-4H3
InChIKeyHOPRORIEMUJGAI-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.62
Rot. Bonds5

About 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene

1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene (PubChem CID 14788798) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene
PubChem CID14788798
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene
SMILESCOC1=CCC(C(C)CCC=C(C)C)=CC1
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)14-8-10-15(16-4)11-9-14/h6,8,11,13H,5,7,9-10H2,1-4H3
InChIKeyHOPRORIEMUJGAI-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene 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-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene?
The IUPAC name of 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene (CID 14788798) is 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene.
What is the SMILES notation for 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene?
The canonical SMILES for 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene is COC1=CCC(C(C)CCC=C(C)C)=CC1.
What is the InChIKey of 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene?
The InChIKey is HOPRORIEMUJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-7-13(3)14-8-10-15(16-4)11-9-14/h6,8,11,13H,5,7,9-10H2,1-4H3.
What are the key properties of 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene?
1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene has a molecular weight of 220.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene is sourced from PubChem (CID 14788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).