6-hydroxy-6-methylnonan-2-one

C10H20O2 — CID 90772739

IUPAC6-hydroxy-6-methylnonan-2-one
SMILESCCCC(C)(O)CCCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-7-10(3,12)8-5-6-9(2)11/h12H,4-8H2,1-3H3
InChIKeyGRNNVBRCJSOYBF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.30
Rot. Bonds6

About 6-hydroxy-6-methylnonan-2-one

6-hydroxy-6-methylnonan-2-one (PubChem CID 90772739) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-hydroxy-6-methylnonan-2-one.

Molecular Properties

Compound Name6-hydroxy-6-methylnonan-2-one
PubChem CID90772739
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-hydroxy-6-methylnonan-2-one
SMILESCCCC(C)(O)CCCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-7-10(3,12)8-5-6-9(2)11/h12H,4-8H2,1-3H3
InChIKeyGRNNVBRCJSOYBF-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-6-methylnonan-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

Related Compounds

5-ethyl-5-hydroxyheptan-2-one
CID 114494669
4,7-dimethylpentadecane-4,7-diol
CID 89335583
4-hydroxy-4-methyloctanoic acid
CID 18462846
2,2-dimethyl-6-oxoheptanoic acid
CID 3083567
hexan-2-one;2,2,4,4-tetramethylpentan-3-one
CID 87147790
6-hydroxy-2,6-dimethylnonanoate
CID 59271392
4-hydroxy-4-methyltetradecan-2-one
CID 174972394
7,7-dimethyltridecan-2-one
CID 19931393
cyclohexane;heptan-2-one
CID 159731064
2-methylbutan-2-ol;pentan-2-one
CID 88715177
7,7,7-trihydroxyheptan-2-one
CID 87744670
molybdenum;octan-2-one;hydrate
CID 174900945

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methylnonan-2-one?
The IUPAC name of 6-hydroxy-6-methylnonan-2-one (CID 90772739) is 6-hydroxy-6-methylnonan-2-one.
What is the SMILES notation for 6-hydroxy-6-methylnonan-2-one?
The canonical SMILES for 6-hydroxy-6-methylnonan-2-one is CCCC(C)(O)CCCC(C)=O.
What is the InChIKey of 6-hydroxy-6-methylnonan-2-one?
The InChIKey is GRNNVBRCJSOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-10(3,12)8-5-6-9(2)11/h12H,4-8H2,1-3H3.
What are the key properties of 6-hydroxy-6-methylnonan-2-one?
6-hydroxy-6-methylnonan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methylnonan-2-one is sourced from PubChem (CID 90772739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).