cyanomethyl triethyl silicate

C8H17NO4Si — CID 155647227

IUPACcyanomethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC#N
InChIInChI=1S/C8H17NO4Si/c1-4-10-14(11-5-2,12-6-3)13-8-7-9/h4-6,8H2,1-3H3
InChIKeyKIBAHWMSRUWVRT-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.07
Rot. Bonds8

About cyanomethyl triethyl silicate

cyanomethyl triethyl silicate (PubChem CID 155647227) has the molecular formula C8H17NO4Si and a molecular weight of 219.31 g/mol. Its IUPAC name is cyanomethyl triethyl silicate.

Molecular Properties

Compound Namecyanomethyl triethyl silicate
PubChem CID155647227
Molecular FormulaC8H17NO4Si
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Namecyanomethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC#N
InChIInChI=1S/C8H17NO4Si/c1-4-10-14(11-5-2,12-6-3)13-8-7-9/h4-6,8H2,1-3H3
InChIKeyKIBAHWMSRUWVRT-UHFFFAOYSA-N
XLogP1.07
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 cyanomethyl triethyl silicate?
The IUPAC name of cyanomethyl triethyl silicate (CID 155647227) is cyanomethyl triethyl silicate.
What is the SMILES notation for cyanomethyl triethyl silicate?
The canonical SMILES for cyanomethyl triethyl silicate is CCO[Si](OCC)(OCC)OCC#N.
What is the InChIKey of cyanomethyl triethyl silicate?
The InChIKey is KIBAHWMSRUWVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4Si/c1-4-10-14(11-5-2,12-6-3)13-8-7-9/h4-6,8H2,1-3H3.
What are the key properties of cyanomethyl triethyl silicate?
cyanomethyl triethyl silicate has a molecular weight of 219.31 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl triethyl silicate is sourced from PubChem (CID 155647227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).