3-hydroxy-2,2-dimethylpropanal

C5H10O2 — CID 11699

IUPAC3-hydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)CO
InChIInChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
InChIKeyJJMOMMLADQPZNY-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.20
Rot. Bonds2

About 3-hydroxy-2,2-dimethylpropanal

3-hydroxy-2,2-dimethylpropanal (PubChem CID 11699) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylpropanal
PubChem CID11699
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-hydroxy-2,2-dimethylpropanal
SMILESCC(C)(C=O)CO
InChIInChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
InChIKeyJJMOMMLADQPZNY-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

Propanal, 3-hydroxy-2,2-bis(hydroxymethyl)-
CID 77434
2,2-Bis(hydroxymethyl)propanal
CID 87688
3-Hydroxy-2-methylpropanal
CID 11029762
Propanal, 3-hydroxy-2-(hydroxymethyl)-
CID 170297
2-(Hydroxymethyl)-2-methylbutanal
CID 349094
(2S)-2-Methyl-3-hydroxypropanal
CID 11446292
Propionaldehyd n-Propanol
CID 19847276
3-Hydroxy-2-(methoxymethyl)-2-methylpropionaldehyde
CID 3020309
3-Hydroxy-2,2-dimethylpropanoyl fluoride
CID 88893528
2-Fluoro-3-hydroxy-2-methylpropanal
CID 163469563
cesium (2S)-3-hydroxy-2-methylpropanal
CID 135014452
(2R)-3-hydroxy-2-methylpropanal
CID 12367601

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylpropanal?
The IUPAC name of 3-hydroxy-2,2-dimethylpropanal (CID 11699) is 3-hydroxy-2,2-dimethylpropanal.
What is the SMILES notation for 3-hydroxy-2,2-dimethylpropanal?
The canonical SMILES for 3-hydroxy-2,2-dimethylpropanal is CC(C)(C=O)CO.
What is the InChIKey of 3-hydroxy-2,2-dimethylpropanal?
The InChIKey is JJMOMMLADQPZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3.
What are the key properties of 3-hydroxy-2,2-dimethylpropanal?
3-hydroxy-2,2-dimethylpropanal 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-2,2-dimethylpropanal is sourced from PubChem (CID 11699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).