2-hydroxy-5,9-dimethyldec-8-en-3-one

C12H22O2 — CID 11458282

IUPAC2-hydroxy-5,9-dimethyldec-8-en-3-one
SMILESCC(C)=CCCC(C)CC(=O)C(C)O
InChIInChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)8-12(14)11(4)13/h6,10-11,13H,5,7-8H2,1-4H3
InChIKeyNXGKHHATOTXWAM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.71
Rot. Bonds6

About 2-hydroxy-5,9-dimethyldec-8-en-3-one

2-hydroxy-5,9-dimethyldec-8-en-3-one (PubChem CID 11458282) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-hydroxy-5,9-dimethyldec-8-en-3-one.

Molecular Properties

Compound Name2-hydroxy-5,9-dimethyldec-8-en-3-one
PubChem CID11458282
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-hydroxy-5,9-dimethyldec-8-en-3-one
SMILESCC(C)=CCCC(C)CC(=O)C(C)O
InChIInChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)8-12(14)11(4)13/h6,10-11,13H,5,7-8H2,1-4H3
InChIKeyNXGKHHATOTXWAM-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5,9-dimethyldec-8-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,9-dimethyldec-8-en-3-one?
The IUPAC name of 2-hydroxy-5,9-dimethyldec-8-en-3-one (CID 11458282) is 2-hydroxy-5,9-dimethyldec-8-en-3-one.
What is the SMILES notation for 2-hydroxy-5,9-dimethyldec-8-en-3-one?
The canonical SMILES for 2-hydroxy-5,9-dimethyldec-8-en-3-one is CC(C)=CCCC(C)CC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-5,9-dimethyldec-8-en-3-one?
The InChIKey is NXGKHHATOTXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)6-5-7-10(3)8-12(14)11(4)13/h6,10-11,13H,5,7-8H2,1-4H3.
What are the key properties of 2-hydroxy-5,9-dimethyldec-8-en-3-one?
2-hydroxy-5,9-dimethyldec-8-en-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,9-dimethyldec-8-en-3-one is sourced from PubChem (CID 11458282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).