3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate

C10H24O7Si — CID 141292776

IUPAC3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate
SMILESCCO[Si](CC(=O)C(O)CO)(OCC)OCC.O
InChIInChI=1S/C10H22O6Si.H2O/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11;/h9,11-12H,4-8H2,1-3H3;1H2
InChIKeyRFKZBPAJVUSISS-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.87
Rot. Bonds10

About 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate

3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate (PubChem CID 141292776) has the molecular formula C10H24O7Si and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate.

Molecular Properties

Compound Name3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate
PubChem CID141292776
Molecular FormulaC10H24O7Si
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate
SMILESCCO[Si](CC(=O)C(O)CO)(OCC)OCC.O
InChIInChI=1S/C10H22O6Si.H2O/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11;/h9,11-12H,4-8H2,1-3H3;1H2
InChIKeyRFKZBPAJVUSISS-UHFFFAOYSA-N
XLogP-0.87
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.87
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

(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
CID 11807903
(2R,3S)-1-[butyl(dimethyl)silyl]-2,3,4-trihydroxybutan-1-one
CID 87864204
1,2-Dihydroxy-4-trimethoxysilylhexan-3-one
CID 88649752
1,2-Dihydroxy-6-trimethoxysilylhexan-3-one
CID 140994366
1,2-Dihydroxy-6-triethoxysilylhexan-3-one;hydrate
CID 141028151
1,2-Dihydroxy-6-triethoxysilylhexan-3-one
CID 141028152
1,2-Dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
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
2,3-Dihydroxy-1-triethoxysilylpropan-1-one
CID 141376175
6-[Diethoxy(methyl)silyl]-1,2-dihydroxyhexan-3-one
CID 155670674

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate?
The IUPAC name of 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate (CID 141292776) is 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate.
What is the SMILES notation for 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate?
The canonical SMILES for 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate is CCO[Si](CC(=O)C(O)CO)(OCC)OCC.O.
What is the InChIKey of 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate?
The InChIKey is RFKZBPAJVUSISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6Si.H2O/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11;/h9,11-12H,4-8H2,1-3H3;1H2.
What are the key properties of 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate?
3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate has a molecular weight of 284.38 g/mol, XLogP of -0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-triethoxysilylbutan-2-one;hydrate is sourced from PubChem (CID 141292776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).