2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate

C6H16O7Si — CID 141042064

IUPAC2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
SMILESCO[Si](OC)(OC)C(=O)C(O)CO.O
InChIInChI=1S/C6H14O6Si.H2O/c1-10-13(11-2,12-3)6(9)5(8)4-7;/h5,7-8H,4H2,1-3H3;1H2
InChIKeyUPRJMDBAVIEQHP-UHFFFAOYSA-N
MW228.27 g/mol
LogP-2.50
Rot. Bonds6

About 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate

2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate (PubChem CID 141042064) has the molecular formula C6H16O7Si and a molecular weight of 228.27 g/mol. Its IUPAC name is 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate.

Molecular Properties

Compound Name2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
PubChem CID141042064
Molecular FormulaC6H16O7Si
Molecular Weight228.27 g/mol
Exact Mass228.07
IUPAC Name2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
SMILESCO[Si](OC)(OC)C(=O)C(O)CO.O
InChIInChI=1S/C6H14O6Si.H2O/c1-10-13(11-2,12-3)6(9)5(8)4-7;/h5,7-8H,4H2,1-3H3;1H2
InChIKeyUPRJMDBAVIEQHP-UHFFFAOYSA-N
XLogP-2.50
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-2.50
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

1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
2,3-dihydroxypropanoic acid
CID 175601105
methyl (3S)-3,4-dihydroxy-2-oxobutanoate
CID 54573804
CID 131873477
CID 131873477
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 156591905
CID 156591905
CID 158303129
CID 158303129
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate?
The IUPAC name of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate (CID 141042064) is 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate.
What is the SMILES notation for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate?
The canonical SMILES for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate is CO[Si](OC)(OC)C(=O)C(O)CO.O.
What is the InChIKey of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate?
The InChIKey is UPRJMDBAVIEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6Si.H2O/c1-10-13(11-2,12-3)6(9)5(8)4-7;/h5,7-8H,4H2,1-3H3;1H2.
What are the key properties of 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate?
2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate has a molecular weight of 228.27 g/mol, XLogP of -2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-trimethoxysilylpropan-1-one;hydrate is sourced from PubChem (CID 141042064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).