water triethoxysilane

C6H17O4Si — CID 87222130

IUPAC—
SMILESCCO[Si](OCC)OCC.O
InChIInChI=1S/C6H15O3Si.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H2,1-3H3;1H2
InChIKeyLVYXGGYDIJLZLS-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.26
Rot. Bonds6

About water triethoxysilane

water triethoxysilane (PubChem CID 87222130) has the molecular formula C6H17O4Si and a molecular weight of 181.28 g/mol.

Molecular Properties

Compound Namewater triethoxysilane
PubChem CID87222130
Molecular FormulaC6H17O4Si
Molecular Weight181.28 g/mol
Exact Mass181.09
IUPAC Name—
SMILESCCO[Si](OCC)OCC.O
InChIInChI=1S/C6H15O3Si.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H2,1-3H3;1H2
InChIKeyLVYXGGYDIJLZLS-UHFFFAOYSA-N
XLogP0.26
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 water triethoxysilane?
The IUPAC name of water triethoxysilane (CID 87222130) is not available.
What is the SMILES notation for water triethoxysilane?
The canonical SMILES for water triethoxysilane is CCO[Si](OCC)OCC.O.
What is the InChIKey of water triethoxysilane?
The InChIKey is LVYXGGYDIJLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3Si.H2O/c1-4-7-10(8-5-2)9-6-3;/h4-6H2,1-3H3;1H2.
What are the key properties of water triethoxysilane?
water triethoxysilane has a molecular weight of 181.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for water triethoxysilane is sourced from PubChem (CID 87222130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).