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

C10H22O6Si — CID 141292777

IUPAC3,4-dihydroxy-1-triethoxysilylbutan-2-one
SMILESCCO[Si](CC(=O)C(O)CO)(OCC)OCC
InChIInChI=1S/C10H22O6Si/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11/h9,11-12H,4-8H2,1-3H3
InChIKeyAUAKYWBCFYVAAU-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.04
Rot. Bonds10

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

3,4-dihydroxy-1-triethoxysilylbutan-2-one (PubChem CID 141292777) has the molecular formula C10H22O6Si and a molecular weight of 266.37 g/mol. Its IUPAC name is 3,4-dihydroxy-1-triethoxysilylbutan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-triethoxysilylbutan-2-one
PubChem CID141292777
Molecular FormulaC10H22O6Si
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3,4-dihydroxy-1-triethoxysilylbutan-2-one
SMILESCCO[Si](CC(=O)C(O)CO)(OCC)OCC
InChIInChI=1S/C10H22O6Si/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11/h9,11-12H,4-8H2,1-3H3
InChIKeyAUAKYWBCFYVAAU-UHFFFAOYSA-N
XLogP-0.04
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,4-dihydroxy-1-triethoxysilylbutan-2-one?
The IUPAC name of 3,4-dihydroxy-1-triethoxysilylbutan-2-one (CID 141292777) is 3,4-dihydroxy-1-triethoxysilylbutan-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-triethoxysilylbutan-2-one?
The canonical SMILES for 3,4-dihydroxy-1-triethoxysilylbutan-2-one is CCO[Si](CC(=O)C(O)CO)(OCC)OCC.
What is the InChIKey of 3,4-dihydroxy-1-triethoxysilylbutan-2-one?
The InChIKey is AUAKYWBCFYVAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6Si/c1-4-14-17(15-5-2,16-6-3)8-10(13)9(12)7-11/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 3,4-dihydroxy-1-triethoxysilylbutan-2-one?
3,4-dihydroxy-1-triethoxysilylbutan-2-one has a molecular weight of 266.37 g/mol, XLogP of -0.04, 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 is sourced from PubChem (CID 141292777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).