2,3-dihydroxy-3-methylbutanal

C5H10O3 — CID 71391745

IUPAC2,3-dihydroxy-3-methylbutanal
SMILESCC(C)(O)C(O)C=O
InChIInChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h3-4,7-8H,1-2H3
InChIKeyYDXYYBJRCIQQSF-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.68
Rot. Bonds2

About 2,3-dihydroxy-3-methylbutanal

2,3-dihydroxy-3-methylbutanal (PubChem CID 71391745) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2,3-dihydroxy-3-methylbutanal.

Molecular Properties

Compound Name2,3-dihydroxy-3-methylbutanal
PubChem CID71391745
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2,3-dihydroxy-3-methylbutanal
SMILESCC(C)(O)C(O)C=O
InChIInChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h3-4,7-8H,1-2H3
InChIKeyYDXYYBJRCIQQSF-UHFFFAOYSA-N
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxy-3-methylbutanal 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

(2R,3R,4S,5S)-4-amino-2,3,5-trihydroxy-3-methylhexanal
CID 141485271
2,3,4,5-tetrahydroxy-3,4,5-trimethoxyhexanal
CID 146657328
(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-3,4,5-trimethoxyhexanal
CID 140905083
2-methylpropane-1,1,2-triol
CID 22500679
(2S)-3-hydroxy-3-methyl-2-(methylamino)butanal
CID 168758860
2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
CID 87848931
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
3,4-diacetyl-2,3,4,5,6-pentahydroxy-7-oxooctanal
CID 174490725
(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal
CID 141384605
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
3,3-dihydroxy-2,2-dimethylpropanal
CID 87114875
2,3-dimethylbutane-2,3-diol;formic acid
CID 57352201

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-methylbutanal?
The IUPAC name of 2,3-dihydroxy-3-methylbutanal (CID 71391745) is 2,3-dihydroxy-3-methylbutanal.
What is the SMILES notation for 2,3-dihydroxy-3-methylbutanal?
The canonical SMILES for 2,3-dihydroxy-3-methylbutanal is CC(C)(O)C(O)C=O.
What is the InChIKey of 2,3-dihydroxy-3-methylbutanal?
The InChIKey is YDXYYBJRCIQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(2,8)4(7)3-6/h3-4,7-8H,1-2H3.
What are the key properties of 2,3-dihydroxy-3-methylbutanal?
2,3-dihydroxy-3-methylbutanal has a molecular weight of 118.13 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-methylbutanal is sourced from PubChem (CID 71391745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).