(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one

C10H22O4Si — CID 87864204

IUPAC(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one
SMILESCCCC[Si](C)(C)C(=O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)10(14)9(13)8(12)7-11/h8-9,11-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyFKRDNVNKTFXAQK-DTWKUNHWSA-N
MW234.37 g/mol
LogP0.32
Rot. Bonds7

About (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one

(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one (PubChem CID 87864204) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one.

Molecular Properties

Compound Name(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one
PubChem CID87864204
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one
SMILESCCCC[Si](C)(C)C(=O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)10(14)9(13)8(12)7-11/h8-9,11-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyFKRDNVNKTFXAQK-DTWKUNHWSA-N
XLogP0.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one?
The IUPAC name of (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one (CID 87864204) is (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one.
What is the SMILES notation for (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one?
The canonical SMILES for (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one is CCCC[Si](C)(C)C(=O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one?
The InChIKey is FKRDNVNKTFXAQK-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-4-5-6-15(2,3)10(14)9(13)8(12)7-11/h8-9,11-13H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one?
(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one has a molecular weight of 234.37 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one is sourced from PubChem (CID 87864204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).