4-hydroxy-5,5-dimethylhexan-3-one

C8H16O2 — CID 12692178

IUPAC4-hydroxy-5,5-dimethylhexan-3-one
SMILESCCC(=O)C(O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h7,10H,5H2,1-4H3
InChIKeyJSLPVOWQFXBZJF-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds2

About 4-hydroxy-5,5-dimethylhexan-3-one

4-hydroxy-5,5-dimethylhexan-3-one (PubChem CID 12692178) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethylhexan-3-one
PubChem CID12692178
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-hydroxy-5,5-dimethylhexan-3-one
SMILESCCC(=O)C(O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h7,10H,5H2,1-4H3
InChIKeyJSLPVOWQFXBZJF-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-5,5-dimethylhexan-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

Related Compounds

5,5-dimethyl-4-propan-2-ylhexan-3-one
CID 58124172
(4S)-4-amino-5,5-dimethylhexan-3-one
CID 58054153
3-hydroxy-2,2-dimethylundecan-4-one
CID 103456168
5-hydroxy-6,6-dimethylhept-1-yn-4-one
CID 103456164
4-hydroxyheptane-3,5-dione;uranium
CID 59435078
3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
CID 58488534
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
4-methoxy-5-methylhexan-3-one
CID 83225971
(E)-4,7-dihydroxydec-5-ene-3,8-dione
CID 139635405
2-hydroxy-3-oxopentanoic acid
CID 71338185
carbonic acid;2-hydroxypentan-3-one
CID 174710122
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethylhexan-3-one?
The IUPAC name of 4-hydroxy-5,5-dimethylhexan-3-one (CID 12692178) is 4-hydroxy-5,5-dimethylhexan-3-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethylhexan-3-one?
The canonical SMILES for 4-hydroxy-5,5-dimethylhexan-3-one is CCC(=O)C(O)C(C)(C)C.
What is the InChIKey of 4-hydroxy-5,5-dimethylhexan-3-one?
The InChIKey is JSLPVOWQFXBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h7,10H,5H2,1-4H3.
What are the key properties of 4-hydroxy-5,5-dimethylhexan-3-one?
4-hydroxy-5,5-dimethylhexan-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethylhexan-3-one is sourced from PubChem (CID 12692178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).