3-hydroxy-2-methylbutanal

C5H10O2 — CID 10948203

IUPAC3-hydroxy-2-methylbutanal
SMILESCC(O)C(C)C=O
InChIInChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3
InChIKeyZURZPPULRFXVLF-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.20
Rot. Bonds2

About 3-hydroxy-2-methylbutanal

3-hydroxy-2-methylbutanal (PubChem CID 10948203) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-hydroxy-2-methylbutanal.

Molecular Properties

Compound Name3-hydroxy-2-methylbutanal
PubChem CID10948203
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-hydroxy-2-methylbutanal
SMILESCC(O)C(C)C=O
InChIInChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3
InChIKeyZURZPPULRFXVLF-UHFFFAOYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxybutanal
CID 7897
3-Hydroxy-2-methylpentanal
CID 220212
3-Hydroxy-butyraldehyde
CID 13061653
Butanal, 2-hydroxy-3-methyl-
CID 95367
(2S,3R)a3aHydroxya2amethylpentanal
CID 10964464
3-Hydroxy-2-methylpropanal
CID 11029762
3-Hydroxy-3-methyl-butanal
CID 11051591
Butanal, 2-ethyl-3-hydroxy-
CID 11297956
(2S,3S)-3-hydroxy-2,4-dimethylpentanal
CID 11389404
(2S)-2-Methyl-3-hydroxypropanal
CID 11446292
(2S,3S)-3-hydroxy-2-methylpentanal
CID 11858874
3-Hydroxypentanal
CID 13311642

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylbutanal?
The IUPAC name of 3-hydroxy-2-methylbutanal (CID 10948203) is 3-hydroxy-2-methylbutanal.
What is the SMILES notation for 3-hydroxy-2-methylbutanal?
The canonical SMILES for 3-hydroxy-2-methylbutanal is CC(O)C(C)C=O.
What is the InChIKey of 3-hydroxy-2-methylbutanal?
The InChIKey is ZURZPPULRFXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3.
What are the key properties of 3-hydroxy-2-methylbutanal?
3-hydroxy-2-methylbutanal has a molecular weight of 102.13 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylbutanal is sourced from PubChem (CID 10948203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).