6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one

C12H20O2 — CID 101114669

IUPAC6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one
SMILESCCCCC(=O)C(C)(O)C=C=C(C)C
InChIInChI=1S/C12H20O2/c1-5-6-7-11(13)12(4,14)9-8-10(2)3/h9,14H,5-7H2,1-4H3
InChIKeyTUAHVGUAWPEVTR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.62
Rot. Bonds5

About 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one

6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one (PubChem CID 101114669) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one.

Molecular Properties

Compound Name6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one
PubChem CID101114669
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one
SMILESCCCCC(=O)C(C)(O)C=C=C(C)C
InChIInChI=1S/C12H20O2/c1-5-6-7-11(13)12(4,14)9-8-10(2)3/h9,14H,5-7H2,1-4H3
InChIKeyTUAHVGUAWPEVTR-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-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-6,9-dimethyldeca-7,8-dien-5-one?
The IUPAC name of 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one (CID 101114669) is 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one.
What is the SMILES notation for 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one?
The canonical SMILES for 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one is CCCCC(=O)C(C)(O)C=C=C(C)C.
What is the InChIKey of 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one?
The InChIKey is TUAHVGUAWPEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-6-7-11(13)12(4,14)9-8-10(2)3/h9,14H,5-7H2,1-4H3.
What are the key properties of 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one?
6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one has a molecular weight of 196.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6,9-dimethyldeca-7,8-dien-5-one is sourced from PubChem (CID 101114669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).