tritert-butyl ethyl silicate

C14H32O4Si — CID 18971055

IUPACtritert-butyl ethyl silicate
SMILESCCO[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H32O4Si/c1-11-15-19(16-12(2,3)4,17-13(5,6)7)18-14(8,9)10/h11H2,1-10H3
InChIKeyLLIBRUIWCGBCKO-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.90
Rot. Bonds5

About tritert-butyl ethyl silicate

tritert-butyl ethyl silicate (PubChem CID 18971055) has the molecular formula C14H32O4Si and a molecular weight of 292.49 g/mol. Its IUPAC name is tritert-butyl ethyl silicate.

Molecular Properties

Compound Nametritert-butyl ethyl silicate
PubChem CID18971055
Molecular FormulaC14H32O4Si
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Nametritert-butyl ethyl silicate
SMILESCCO[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H32O4Si/c1-11-15-19(16-12(2,3)4,17-13(5,6)7)18-14(8,9)10/h11H2,1-10H3
InChIKeyLLIBRUIWCGBCKO-UHFFFAOYSA-N
XLogP3.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tritert-butyl ethyl silicate?
The IUPAC name of tritert-butyl ethyl silicate (CID 18971055) is tritert-butyl ethyl silicate.
What is the SMILES notation for tritert-butyl ethyl silicate?
The canonical SMILES for tritert-butyl ethyl silicate is CCO[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tritert-butyl ethyl silicate?
The InChIKey is LLIBRUIWCGBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O4Si/c1-11-15-19(16-12(2,3)4,17-13(5,6)7)18-14(8,9)10/h11H2,1-10H3.
What are the key properties of tritert-butyl ethyl silicate?
tritert-butyl ethyl silicate has a molecular weight of 292.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl ethyl silicate is sourced from PubChem (CID 18971055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).