(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal

C10H22O4Si — CID 87864203

IUPAC(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
SMILESCCCC[Si](C)(C)O[C@@H](C=O)[C@@H](O)CO
InChIInChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)14-10(8-12)9(13)7-11/h8-11,13H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyZYQOHPQMKXWDGP-UWVGGRQHSA-N
MW234.37 g/mol
LogP0.93
Rot. Bonds8

About (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal

(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal (PubChem CID 87864203) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal.

Molecular Properties

Compound Name(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
PubChem CID87864203
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal
SMILESCCCC[Si](C)(C)O[C@@H](C=O)[C@@H](O)CO
InChIInChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)14-10(8-12)9(13)7-11/h8-11,13H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyZYQOHPQMKXWDGP-UWVGGRQHSA-N
XLogP0.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal?
The IUPAC name of (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal (CID 87864203) is (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal.
What is the SMILES notation for (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal?
The canonical SMILES for (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal is CCCC[Si](C)(C)O[C@@H](C=O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal?
The InChIKey is ZYQOHPQMKXWDGP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)14-10(8-12)9(13)7-11/h8-11,13H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal?
(2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal has a molecular weight of 234.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[butyl(dimethyl)silyl]oxy-3,4-dihydroxybutanal is sourced from PubChem (CID 87864203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).