(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one

C8H16O3 — CID 131860482

IUPAC(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
SMILESCC(=O)[C@](C)(O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O3/c1-5(2)7(10)8(4,11)6(3)9/h5,7,10-11H,1-4H3/t7-,8+/m1/s1
InChIKeyAIUXVDCAPTYWHZ-SFYZADRCSA-N
MW160.21 g/mol
LogP0.34
Rot. Bonds3

About (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one

(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one (PubChem CID 131860482) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
PubChem CID131860482
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
SMILESCC(=O)[C@](C)(O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O3/c1-5(2)7(10)8(4,11)6(3)9/h5,7,10-11H,1-4H3/t7-,8+/m1/s1
InChIKeyAIUXVDCAPTYWHZ-SFYZADRCSA-N
XLogP0.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-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

(3S,4R)-3-amino-4-hydroxy-3,5-dimethylhexan-2-one
CID 158269541
3,4-dihydroxy-3,6-dimethylheptan-2-one
CID 15647969
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
3-hydroxy-3,4-dimethyloctan-2-one
CID 87291825
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
acetyl acetate;2,2,4-trimethylpentane-1,3-diol
CID 146303073
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
3,3,5-trimethylhexan-2-one
CID 2776079
5,5-dihydroxy-3,3-dimethylpentan-2-one
CID 22951477
3,6-dihydroxy-3-methylheptane-2,5-dione
CID 91126378

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one?
The IUPAC name of (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one (CID 131860482) is (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one is CC(=O)[C@](C)(O)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one?
The InChIKey is AIUXVDCAPTYWHZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O3/c1-5(2)7(10)8(4,11)6(3)9/h5,7,10-11H,1-4H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one?
(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one has a molecular weight of 160.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one is sourced from PubChem (CID 131860482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).