2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone

C8H12O8Si — CID 175505712

IUPAC2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone
SMILESO=C(CO)[Si](C(=O)CO)(C(=O)CO)C(=O)CO
InChIInChI=1S/C8H12O8Si/c9-1-5(13)17(6(14)2-10,7(15)3-11)8(16)4-12/h9-12H,1-4H2
InChIKeyNAVVRGGUAAEPLU-UHFFFAOYSA-N
MW264.26 g/mol
LogP-4.16
Rot. Bonds8

About 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone

2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone (PubChem CID 175505712) has the molecular formula C8H12O8Si and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone.

Molecular Properties

Compound Name2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone
PubChem CID175505712
Molecular FormulaC8H12O8Si
Molecular Weight264.26 g/mol
Exact Mass264.03
IUPAC Name2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone
SMILESO=C(CO)[Si](C(=O)CO)(C(=O)CO)C(=O)CO
InChIInChI=1S/C8H12O8Si/c9-1-5(13)17(6(14)2-10,7(15)3-11)8(16)4-12/h9-12H,1-4H2
InChIKeyNAVVRGGUAAEPLU-UHFFFAOYSA-N
XLogP-4.16
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-4.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone?
The IUPAC name of 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone (CID 175505712) is 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone.
What is the SMILES notation for 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone?
The canonical SMILES for 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone is O=C(CO)[Si](C(=O)CO)(C(=O)CO)C(=O)CO.
What is the InChIKey of 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone?
The InChIKey is NAVVRGGUAAEPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O8Si/c9-1-5(13)17(6(14)2-10,7(15)3-11)8(16)4-12/h9-12H,1-4H2.
What are the key properties of 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone?
2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone has a molecular weight of 264.26 g/mol, XLogP of -4.16, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-tris(2-hydroxyacetyl)silylethanone is sourced from PubChem (CID 175505712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).