acetaldehyde;2-hydroxybutanal

C6H12O3 — CID 126485500

IUPACacetaldehyde;2-hydroxybutanal
SMILESCC=O.CCC(O)C=O
InChIInChI=1S/C4H8O2.C2H4O/c1-2-4(6)3-5;1-2-3/h3-4,6H,2H2,1H3;2H,1H3
InChIKeyLYXXBBAMBHSARM-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.16
Rot. Bonds2

About acetaldehyde;2-hydroxybutanal

acetaldehyde;2-hydroxybutanal (PubChem CID 126485500) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is acetaldehyde;2-hydroxybutanal.

Molecular Properties

Compound Nameacetaldehyde;2-hydroxybutanal
PubChem CID126485500
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameacetaldehyde;2-hydroxybutanal
SMILESCC=O.CCC(O)C=O
InChIInChI=1S/C4H8O2.C2H4O/c1-2-4(6)3-5;1-2-3/h3-4,6H,2H2,1H3;2H,1H3
InChIKeyLYXXBBAMBHSARM-UHFFFAOYSA-N
XLogP0.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybutanal;silane;hydrate
CID 174946258
acetaldehyde;butan-2-ol;2-methylpropane
CID 174321366
(E)-hex-4-en-3-ol
CID 5366234
(2S)-3-fluoro-2-hydroxypropanal
CID 130737258
(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
CID 15755837
acetaldehyde;ethanol;methanol
CID 159165678
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
CID 158103983
CID 158103983
2-hydroxybutanethial
CID 14141721
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
(2-hydroxy-3-oxopropyl)-trimethylazanium chloride
CID 158373380
acetaldehyde;ethanol;vanadium;hydroiodide
CID 159475304

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-hydroxybutanal?
The IUPAC name of acetaldehyde;2-hydroxybutanal (CID 126485500) is acetaldehyde;2-hydroxybutanal.
What is the SMILES notation for acetaldehyde;2-hydroxybutanal?
The canonical SMILES for acetaldehyde;2-hydroxybutanal is CC=O.CCC(O)C=O.
What is the InChIKey of acetaldehyde;2-hydroxybutanal?
The InChIKey is LYXXBBAMBHSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O/c1-2-4(6)3-5;1-2-3/h3-4,6H,2H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-hydroxybutanal?
acetaldehyde;2-hydroxybutanal has a molecular weight of 132.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-hydroxybutanal is sourced from PubChem (CID 126485500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).