(3R)-3-hydroxybutanal

C4H8O2 — CID 13061653

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

About (3R)-3-hydroxybutanal

(3R)-3-hydroxybutanal (PubChem CID 13061653) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is (3R)-3-hydroxybutanal.

Molecular Properties

Compound Name(3R)-3-hydroxybutanal
PubChem CID13061653
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name(3R)-3-hydroxybutanal
SMILESC[C@@H](O)CC=O
InChIInChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1
InChIKeyHSJKGGMUJITCBW-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 (3R)-3-hydroxybutanal?
The IUPAC name of (3R)-3-hydroxybutanal (CID 13061653) is (3R)-3-hydroxybutanal.
What is the SMILES notation for (3R)-3-hydroxybutanal?
The canonical SMILES for (3R)-3-hydroxybutanal is C[C@@H](O)CC=O.
What is the InChIKey of (3R)-3-hydroxybutanal?
The InChIKey is HSJKGGMUJITCBW-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-3-hydroxybutanal?
(3R)-3-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 (3R)-3-hydroxybutanal is sourced from PubChem (CID 13061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).