2,3-dihydroxy-1-triethoxysilylpropan-1-one

C9H20O6Si — CID 141376175

IUPAC2,3-dihydroxy-1-triethoxysilylpropan-1-one
SMILESCCO[Si](OCC)(OCC)C(=O)C(O)CO
InChIInChI=1S/C9H20O6Si/c1-4-13-16(14-5-2,15-6-3)9(12)8(11)7-10/h8,10-11H,4-7H2,1-3H3
InChIKeyDORICFBJHQJOLH-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.50
Rot. Bonds9

About 2,3-dihydroxy-1-triethoxysilylpropan-1-one

2,3-dihydroxy-1-triethoxysilylpropan-1-one (PubChem CID 141376175) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 2,3-dihydroxy-1-triethoxysilylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-triethoxysilylpropan-1-one
PubChem CID141376175
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2,3-dihydroxy-1-triethoxysilylpropan-1-one
SMILESCCO[Si](OCC)(OCC)C(=O)C(O)CO
InChIInChI=1S/C9H20O6Si/c1-4-13-16(14-5-2,15-6-3)9(12)8(11)7-10/h8,10-11H,4-7H2,1-3H3
InChIKeyDORICFBJHQJOLH-UHFFFAOYSA-N
XLogP-0.50
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroxy-1-[tris(2,3-dihydroxypropanoyl)silyl]propan-1-one
CID 87652231
2,3-Dihydroxy-1-trimethoxysilylpropan-1-one
CID 141042063
2,3-Dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
CID 141042064
(3,4-Dihydroxy-2-oxobutyl) dimethyl propyl silicate
CID 141076213
3,4-Dihydroxy-1-triethoxysilylbutan-2-one;hydrate
CID 141292776
(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
CID 11311180
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
3,4-Dihydroxy-1-triethoxysilylbutan-2-one
CID 141292777

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-triethoxysilylpropan-1-one?
The IUPAC name of 2,3-dihydroxy-1-triethoxysilylpropan-1-one (CID 141376175) is 2,3-dihydroxy-1-triethoxysilylpropan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-triethoxysilylpropan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-triethoxysilylpropan-1-one is CCO[Si](OCC)(OCC)C(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-1-triethoxysilylpropan-1-one?
The InChIKey is DORICFBJHQJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6Si/c1-4-13-16(14-5-2,15-6-3)9(12)8(11)7-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2,3-dihydroxy-1-triethoxysilylpropan-1-one?
2,3-dihydroxy-1-triethoxysilylpropan-1-one has a molecular weight of 252.34 g/mol, XLogP of -0.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-triethoxysilylpropan-1-one is sourced from PubChem (CID 141376175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).