5-hydroxy-3,6-dimethylnon-3-en-2-one

C11H20O2 — CID 123338347

IUPAC5-hydroxy-3,6-dimethylnon-3-en-2-one
SMILESCCCC(C)C(O)C=C(C)C(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-8(2)11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyGIJWYHYDEWLQGK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds5

About 5-hydroxy-3,6-dimethylnon-3-en-2-one

5-hydroxy-3,6-dimethylnon-3-en-2-one (PubChem CID 123338347) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hydroxy-3,6-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name5-hydroxy-3,6-dimethylnon-3-en-2-one
PubChem CID123338347
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-hydroxy-3,6-dimethylnon-3-en-2-one
SMILESCCCC(C)C(O)C=C(C)C(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-8(2)11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyGIJWYHYDEWLQGK-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-hydroxy-3,6-dimethylnon-3-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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,6-dimethylnon-3-en-2-one?
The IUPAC name of 5-hydroxy-3,6-dimethylnon-3-en-2-one (CID 123338347) is 5-hydroxy-3,6-dimethylnon-3-en-2-one.
What is the SMILES notation for 5-hydroxy-3,6-dimethylnon-3-en-2-one?
The canonical SMILES for 5-hydroxy-3,6-dimethylnon-3-en-2-one is CCCC(C)C(O)C=C(C)C(C)=O.
What is the InChIKey of 5-hydroxy-3,6-dimethylnon-3-en-2-one?
The InChIKey is GIJWYHYDEWLQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-8(2)11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-3,6-dimethylnon-3-en-2-one?
5-hydroxy-3,6-dimethylnon-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,6-dimethylnon-3-en-2-one is sourced from PubChem (CID 123338347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).