1-tris(prop-2-enyl)silylethyl formate

C12H20O2Si — CID 173023165

IUPAC1-tris(prop-2-enyl)silylethyl formate
SMILESC=CC[Si](CC=C)(CC=C)C(C)OC=O
InChIInChI=1S/C12H20O2Si/c1-5-8-15(9-6-2,10-7-3)12(4)14-11-13/h5-7,11-12H,1-3,8-10H2,4H3
InChIKeyDFHVKYXHEIJSJP-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.09
Rot. Bonds9

About 1-tris(prop-2-enyl)silylethyl formate

1-tris(prop-2-enyl)silylethyl formate (PubChem CID 173023165) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 1-tris(prop-2-enyl)silylethyl formate.

Molecular Properties

Compound Name1-tris(prop-2-enyl)silylethyl formate
PubChem CID173023165
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name1-tris(prop-2-enyl)silylethyl formate
SMILESC=CC[Si](CC=C)(CC=C)C(C)OC=O
InChIInChI=1S/C12H20O2Si/c1-5-8-15(9-6-2,10-7-3)12(4)14-11-13/h5-7,11-12H,1-3,8-10H2,4H3
InChIKeyDFHVKYXHEIJSJP-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tris(prop-2-enyl)silylethyl formate?
The IUPAC name of 1-tris(prop-2-enyl)silylethyl formate (CID 173023165) is 1-tris(prop-2-enyl)silylethyl formate.
What is the SMILES notation for 1-tris(prop-2-enyl)silylethyl formate?
The canonical SMILES for 1-tris(prop-2-enyl)silylethyl formate is C=CC[Si](CC=C)(CC=C)C(C)OC=O.
What is the InChIKey of 1-tris(prop-2-enyl)silylethyl formate?
The InChIKey is DFHVKYXHEIJSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-5-8-15(9-6-2,10-7-3)12(4)14-11-13/h5-7,11-12H,1-3,8-10H2,4H3.
What are the key properties of 1-tris(prop-2-enyl)silylethyl formate?
1-tris(prop-2-enyl)silylethyl formate has a molecular weight of 224.38 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tris(prop-2-enyl)silylethyl formate is sourced from PubChem (CID 173023165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).