4-methoxy-6-methylhept-4-en-2-one

C9H16O2 — CID 71400112

IUPAC4-methoxy-6-methylhept-4-en-2-one
SMILESCOC(=CC(C)C)CC(C)=O
InChIInChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h5,7H,6H2,1-4H3
InChIKeyRIEQLELZRZLDOS-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds4

About 4-methoxy-6-methylhept-4-en-2-one

4-methoxy-6-methylhept-4-en-2-one (PubChem CID 71400112) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methoxy-6-methylhept-4-en-2-one.

Molecular Properties

Compound Name4-methoxy-6-methylhept-4-en-2-one
PubChem CID71400112
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methoxy-6-methylhept-4-en-2-one
SMILESCOC(=CC(C)C)CC(C)=O
InChIInChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h5,7H,6H2,1-4H3
InChIKeyRIEQLELZRZLDOS-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-methoxy-6-methylhept-4-en-2-one 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

(E)-6-methyl-5-prop-1-en-2-yloxyhept-4-en-2-one
CID 121219532
(E)-3-(1-methoxyethenyl)hept-5-en-2-one
CID 20372131
4-Methoxy-3,5-dimethylhex-4-en-2-one
CID 59088279
3-(1-Methoxyethenyl)hept-5-en-2-one
CID 71444641
(Z)-2-methoxy-3-acetyl-1,5-heptadiene
CID 86733881
4-Methoxyhex-4-en-2-one
CID 90261646
4-Propan-2-yloxyhex-4-en-2-one
CID 117804727
(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one
CID 118319171
(Z)-4-methoxy-6-methylhept-3-en-2-one
CID 118447959
(Z)-4-methoxyhex-4-en-2-one;2-methylheptane
CID 176715183
4-Methoxy-5-methylhex-4-en-2-one
CID 21718636
1-(3,4-dihydro-2H-pyran-6-yl)propan-2-one
CID 84020663

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylhept-4-en-2-one?
The IUPAC name of 4-methoxy-6-methylhept-4-en-2-one (CID 71400112) is 4-methoxy-6-methylhept-4-en-2-one.
What is the SMILES notation for 4-methoxy-6-methylhept-4-en-2-one?
The canonical SMILES for 4-methoxy-6-methylhept-4-en-2-one is COC(=CC(C)C)CC(C)=O.
What is the InChIKey of 4-methoxy-6-methylhept-4-en-2-one?
The InChIKey is RIEQLELZRZLDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h5,7H,6H2,1-4H3.
What are the key properties of 4-methoxy-6-methylhept-4-en-2-one?
4-methoxy-6-methylhept-4-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylhept-4-en-2-one is sourced from PubChem (CID 71400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).