(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one

C8H18O5Si — CID 54461246

IUPAC(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one
SMILESC[Si](C)(C)C(O)[C@@H](O)C(=O)[C@H](O)CO
InChIInChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5,7-10,12-13H,4H2,1-3H3/t5-,7+,8?/m1/s1
InChIKeyXBTZETJJGGNBFF-RARYBDLZSA-N
MW222.31 g/mol
LogP-1.49
Rot. Bonds5

About (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one

(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one (PubChem CID 54461246) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one.

Molecular Properties

Compound Name(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one
PubChem CID54461246
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one
SMILESC[Si](C)(C)C(O)[C@@H](O)C(=O)[C@H](O)CO
InChIInChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5,7-10,12-13H,4H2,1-3H3/t5-,7+,8?/m1/s1
InChIKeyXBTZETJJGGNBFF-RARYBDLZSA-N
XLogP-1.49
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one?
The IUPAC name of (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one (CID 54461246) is (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one.
What is the SMILES notation for (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one?
The canonical SMILES for (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one is C[Si](C)(C)C(O)[C@@H](O)C(=O)[C@H](O)CO.
What is the InChIKey of (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one?
The InChIKey is XBTZETJJGGNBFF-RARYBDLZSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-14(2,3)8(13)7(12)6(11)5(10)4-9/h5,7-10,12-13H,4H2,1-3H3/t5-,7+,8?/m1/s1.
What are the key properties of (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one?
(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one has a molecular weight of 222.31 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one is sourced from PubChem (CID 54461246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).