3-hydroxy-2-methylpropanal

C4H8O2 — CID 11029762

IUPAC3-hydroxy-2-methylpropanal
SMILESCC(C=O)CO
InChIInChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3
InChIKeyJTMCAHGCWBGWRV-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.19
Rot. Bonds2

About 3-hydroxy-2-methylpropanal

3-hydroxy-2-methylpropanal (PubChem CID 11029762) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 3-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-hydroxy-2-methylpropanal
PubChem CID11029762
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name3-hydroxy-2-methylpropanal
SMILESCC(C=O)CO
InChIInChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3
InChIKeyJTMCAHGCWBGWRV-UHFFFAOYSA-N
XLogP-0.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylpropanal?
The IUPAC name of 3-hydroxy-2-methylpropanal (CID 11029762) is 3-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-hydroxy-2-methylpropanal?
The canonical SMILES for 3-hydroxy-2-methylpropanal is CC(C=O)CO.
What is the InChIKey of 3-hydroxy-2-methylpropanal?
The InChIKey is JTMCAHGCWBGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3.
What are the key properties of 3-hydroxy-2-methylpropanal?
3-hydroxy-2-methylpropanal has a molecular weight of 88.11 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylpropanal is sourced from PubChem (CID 11029762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).