1-triethoxysilylpropan-2-one

C9H20O4Si — CID 174838810

IUPAC1-triethoxysilylpropan-2-one
SMILESCCO[Si](CC(C)=O)(OCC)OCC
InChIInChI=1S/C9H20O4Si/c1-5-11-14(12-6-2,13-7-3)8-9(4)10/h5-8H2,1-4H3
InChIKeyJYOODDGYVWXERX-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.62
Rot. Bonds8

About 1-triethoxysilylpropan-2-one

1-triethoxysilylpropan-2-one (PubChem CID 174838810) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-triethoxysilylpropan-2-one.

Molecular Properties

Compound Name1-triethoxysilylpropan-2-one
PubChem CID174838810
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name1-triethoxysilylpropan-2-one
SMILESCCO[Si](CC(C)=O)(OCC)OCC
InChIInChI=1S/C9H20O4Si/c1-5-11-14(12-6-2,13-7-3)8-9(4)10/h5-8H2,1-4H3
InChIKeyJYOODDGYVWXERX-UHFFFAOYSA-N
XLogP1.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-triethoxysilylbut-2-en-2-amine
CID 175093844
6-amino-1-triethoxysilylhexan-2-one
CID 91383810
lithium 2-triethoxysilylethanethioate
CID 87593401
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070
carbamic acid;triethoxy(propyl)silane
CID 175441799
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
1-triethylsilylpropan-2-one
CID 15033603
butan-2-one;methoxyethane;propane
CID 158787439
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
methyl triethoxysilylmethyl carbonate
CID 139978043

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylpropan-2-one?
The IUPAC name of 1-triethoxysilylpropan-2-one (CID 174838810) is 1-triethoxysilylpropan-2-one.
What is the SMILES notation for 1-triethoxysilylpropan-2-one?
The canonical SMILES for 1-triethoxysilylpropan-2-one is CCO[Si](CC(C)=O)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylpropan-2-one?
The InChIKey is JYOODDGYVWXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-11-14(12-6-2,13-7-3)8-9(4)10/h5-8H2,1-4H3.
What are the key properties of 1-triethoxysilylpropan-2-one?
1-triethoxysilylpropan-2-one has a molecular weight of 220.34 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropan-2-one is sourced from PubChem (CID 174838810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).