(2S)-3-hydroxy-2-methoxybutanal

C5H10O3 — CID 88891504

IUPAC(2S)-3-hydroxy-2-methoxybutanal
SMILESCO[C@H](C=O)C(C)O
InChIInChI=1S/C5H10O3/c1-4(7)5(3-6)8-2/h3-5,7H,1-2H3/t4?,5-/m1/s1
InChIKeyXPWYHPQVIWRPIJ-BRJRFNKRSA-N
MW118.13 g/mol
LogP-0.42
Rot. Bonds3

About (2S)-3-hydroxy-2-methoxybutanal

(2S)-3-hydroxy-2-methoxybutanal (PubChem CID 88891504) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-methoxybutanal.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-methoxybutanal
PubChem CID88891504
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S)-3-hydroxy-2-methoxybutanal
SMILESCO[C@H](C=O)C(C)O
InChIInChI=1S/C5H10O3/c1-4(7)5(3-6)8-2/h3-5,7H,1-2H3/t4?,5-/m1/s1
InChIKeyXPWYHPQVIWRPIJ-BRJRFNKRSA-N
XLogP-0.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.42
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

2,3-Dihydroxybutanal
CID 279506
(2S,3R)-2,3-dihydroxybutanal
CID 6102473
Propanal, 2-hydroxy-3-methoxy-, (R)-
CID 10419143
(2R,3S)-2,3-dihydroxybutanal
CID 13832646
(2R)-2-hydroxy-3-methoxypropanal
CID 14079966
(s)-3-Hydroxy-2-methoxypropanal
CID 60204950
3-Ethoxy-2-hydroxybutyraldehyde
CID 88226571
2-Butoxy-3-hydroxypropanal
CID 123351284
(2s,3s)-2,3-Dihydroxybutanal
CID 165290
erythro-alpha,beta-Dihydroxybutyraldehyde
CID 6453984
(2R)-3-hydroxy-2-methoxypropanal
CID 13684982
(2S)-2-hydroxy-3-methoxypropanal
CID 60204948

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-methoxybutanal?
The IUPAC name of (2S)-3-hydroxy-2-methoxybutanal (CID 88891504) is (2S)-3-hydroxy-2-methoxybutanal.
What is the SMILES notation for (2S)-3-hydroxy-2-methoxybutanal?
The canonical SMILES for (2S)-3-hydroxy-2-methoxybutanal is CO[C@H](C=O)C(C)O.
What is the InChIKey of (2S)-3-hydroxy-2-methoxybutanal?
The InChIKey is XPWYHPQVIWRPIJ-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(7)5(3-6)8-2/h3-5,7H,1-2H3/t4?,5-/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-methoxybutanal?
(2S)-3-hydroxy-2-methoxybutanal has a molecular weight of 118.13 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-methoxybutanal is sourced from PubChem (CID 88891504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).