6-hydroxy-6,10-dimethylundec-9-en-2-one

C13H24O2 — CID 71441531

IUPAC6-hydroxy-6,10-dimethylundec-9-en-2-one
SMILESCC(=O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-11(2)7-5-9-13(4,15)10-6-8-12(3)14/h7,15H,5-6,8-10H2,1-4H3
InChIKeyCDKQBQKBJFQPSD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.24
Rot. Bonds7

About 6-hydroxy-6,10-dimethylundec-9-en-2-one

6-hydroxy-6,10-dimethylundec-9-en-2-one (PubChem CID 71441531) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-hydroxy-6,10-dimethylundec-9-en-2-one.

Molecular Properties

Compound Name6-hydroxy-6,10-dimethylundec-9-en-2-one
PubChem CID71441531
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-hydroxy-6,10-dimethylundec-9-en-2-one
SMILESCC(=O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-11(2)7-5-9-13(4,15)10-6-8-12(3)14/h7,15H,5-6,8-10H2,1-4H3
InChIKeyCDKQBQKBJFQPSD-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-hydroxy-6,10-dimethylundec-9-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 6-hydroxy-6,10-dimethylundec-9-en-2-one?
The IUPAC name of 6-hydroxy-6,10-dimethylundec-9-en-2-one (CID 71441531) is 6-hydroxy-6,10-dimethylundec-9-en-2-one.
What is the SMILES notation for 6-hydroxy-6,10-dimethylundec-9-en-2-one?
The canonical SMILES for 6-hydroxy-6,10-dimethylundec-9-en-2-one is CC(=O)CCCC(C)(O)CCC=C(C)C.
What is the InChIKey of 6-hydroxy-6,10-dimethylundec-9-en-2-one?
The InChIKey is CDKQBQKBJFQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)7-5-9-13(4,15)10-6-8-12(3)14/h7,15H,5-6,8-10H2,1-4H3.
What are the key properties of 6-hydroxy-6,10-dimethylundec-9-en-2-one?
6-hydroxy-6,10-dimethylundec-9-en-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6,10-dimethylundec-9-en-2-one is sourced from PubChem (CID 71441531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).