2-hydroxybutanal;silane;hydrate

C4H14O3Si — CID 174946258

IUPAC2-hydroxybutanal;silane;hydrate
SMILESCCC(O)C=O.O.[SiH4]
InChIInChI=1S/C4H8O2.H2O.H4Si/c1-2-4(6)3-5;;/h3-4,6H,2H2,1H3;1H2;1H4
InChIKeyFWMOQZNBHWIKFF-UHFFFAOYSA-N
MW138.24 g/mol
LogP-2.32
Rot. Bonds2

About 2-hydroxybutanal;silane;hydrate

2-hydroxybutanal;silane;hydrate (PubChem CID 174946258) has the molecular formula C4H14O3Si and a molecular weight of 138.24 g/mol. Its IUPAC name is 2-hydroxybutanal;silane;hydrate.

Molecular Properties

Compound Name2-hydroxybutanal;silane;hydrate
PubChem CID174946258
Molecular FormulaC4H14O3Si
Molecular Weight138.24 g/mol
Exact Mass138.07
IUPAC Name2-hydroxybutanal;silane;hydrate
SMILESCCC(O)C=O.O.[SiH4]
InChIInChI=1S/C4H8O2.H2O.H4Si/c1-2-4(6)3-5;;/h3-4,6H,2H2,1H3;1H2;1H4
InChIKeyFWMOQZNBHWIKFF-UHFFFAOYSA-N
XLogP-2.32
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.24
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butanal, 2-hydroxy-3-methyl-
CID 95367
Butanal, 2-hydroxy-
CID 10154000
2-Hydroxypentanal
CID 10351658
(2R)-2-hydroxybutanal
CID 46202777
(2S)-2-hydroxybutanal
CID 46204705
Acetaldehyd Acetoin
CID 88640086
(2S)-2-hydroxy-3-methylbutanal
CID 13289078
(2R)-2-hydroxyhex-4-ynal
CID 57835637
Ethanol;2-hydroxypropanal
CID 88677819
2-Hydroxybutanedial;propane
CID 88838865
(2R)-2-hydroxypentanal
CID 101703448
Acetaldehyde;2-hydroxybutanal
CID 126485500

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanal;silane;hydrate?
The IUPAC name of 2-hydroxybutanal;silane;hydrate (CID 174946258) is 2-hydroxybutanal;silane;hydrate.
What is the SMILES notation for 2-hydroxybutanal;silane;hydrate?
The canonical SMILES for 2-hydroxybutanal;silane;hydrate is CCC(O)C=O.O.[SiH4].
What is the InChIKey of 2-hydroxybutanal;silane;hydrate?
The InChIKey is FWMOQZNBHWIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.H2O.H4Si/c1-2-4(6)3-5;;/h3-4,6H,2H2,1H3;1H2;1H4.
What are the key properties of 2-hydroxybutanal;silane;hydrate?
2-hydroxybutanal;silane;hydrate has a molecular weight of 138.24 g/mol, XLogP of -2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanal;silane;hydrate is sourced from PubChem (CID 174946258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).