(2R)-2-hydroxybutanal

C4H8O2 — CID 46202777

IUPAC(2R)-2-hydroxybutanal
SMILESCC[C@@H](O)C=O
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1
InChIKeyUIKQNMXWCYQNCS-SCSAIBSYSA-N
MW88.11 g/mol
LogP-0.04
Rot. Bonds2

About (2R)-2-hydroxybutanal

(2R)-2-hydroxybutanal (PubChem CID 46202777) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is (2R)-2-hydroxybutanal.

Molecular Properties

Compound Name(2R)-2-hydroxybutanal
PubChem CID46202777
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name(2R)-2-hydroxybutanal
SMILESCC[C@@H](O)C=O
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1
InChIKeyUIKQNMXWCYQNCS-SCSAIBSYSA-N
XLogP-0.04
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 ≤ 5-0.04
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 (2R)-2-hydroxybutanal?
The IUPAC name of (2R)-2-hydroxybutanal (CID 46202777) is (2R)-2-hydroxybutanal.
What is the SMILES notation for (2R)-2-hydroxybutanal?
The canonical SMILES for (2R)-2-hydroxybutanal is CC[C@@H](O)C=O.
What is the InChIKey of (2R)-2-hydroxybutanal?
The InChIKey is UIKQNMXWCYQNCS-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxybutanal?
(2R)-2-hydroxybutanal has a molecular weight of 88.11 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxybutanal is sourced from PubChem (CID 46202777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).