4-methoxy-8-methylnon-5-en-3-one

C11H20O2 — CID 173120608

IUPAC4-methoxy-8-methylnon-5-en-3-one
SMILESCCC(=O)C(C=CCC(C)C)OC
InChIInChI=1S/C11H20O2/c1-5-10(12)11(13-4)8-6-7-9(2)3/h6,8-9,11H,5,7H2,1-4H3
InChIKeyPAEQZCZIGKARPH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds6

About 4-methoxy-8-methylnon-5-en-3-one

4-methoxy-8-methylnon-5-en-3-one (PubChem CID 173120608) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methoxy-8-methylnon-5-en-3-one.

Molecular Properties

Compound Name4-methoxy-8-methylnon-5-en-3-one
PubChem CID173120608
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methoxy-8-methylnon-5-en-3-one
SMILESCCC(=O)C(C=CCC(C)C)OC
InChIInChI=1S/C11H20O2/c1-5-10(12)11(13-4)8-6-7-9(2)3/h6,8-9,11H,5,7H2,1-4H3
InChIKeyPAEQZCZIGKARPH-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-8-methylnon-5-en-3-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

1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
1-(5,5-dimethyl-4-propan-2-yl-2H-furan-2-yl)ethanone
CID 121006105
2-Methoxycyclopent-3-en-1-one
CID 22676885
CID 59117766
CID 59117766
(E)-7-methoxy-3-methylhept-5-en-2-one
CID 59550367
2-prop-1-enyl-4H-pyran-3-one
CID 67815687
2-but-1-enyl-4H-pyran-3-one
CID 67827413
2-[(Z)-but-1-enyl]-4H-pyran-3-one
CID 70559371
7-Methoxy-3-methylhept-5-en-2-one
CID 72323796
(E)-5-methoxy-6-methyloct-3-enal
CID 87290879
(E)-5-methoxy-2-methyloct-3-enal
CID 87291205

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-methylnon-5-en-3-one?
The IUPAC name of 4-methoxy-8-methylnon-5-en-3-one (CID 173120608) is 4-methoxy-8-methylnon-5-en-3-one.
What is the SMILES notation for 4-methoxy-8-methylnon-5-en-3-one?
The canonical SMILES for 4-methoxy-8-methylnon-5-en-3-one is CCC(=O)C(C=CCC(C)C)OC.
What is the InChIKey of 4-methoxy-8-methylnon-5-en-3-one?
The InChIKey is PAEQZCZIGKARPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-10(12)11(13-4)8-6-7-9(2)3/h6,8-9,11H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-8-methylnon-5-en-3-one?
4-methoxy-8-methylnon-5-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-methylnon-5-en-3-one is sourced from PubChem (CID 173120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).