tert-butyl 2-triethoxysilylprop-2-enyl carbonate

C14H28O6Si — CID 45277052

IUPACtert-butyl 2-triethoxysilylprop-2-enyl carbonate
SMILESC=C(COC(=O)OC(C)(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O6Si/c1-8-17-21(18-9-2,19-10-3)12(4)11-16-13(15)20-14(5,6)7/h4,8-11H2,1-3,5-7H3
InChIKeyAGGXLUTXXCNRNC-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.08
Rot. Bonds9

About tert-butyl 2-triethoxysilylprop-2-enyl carbonate

tert-butyl 2-triethoxysilylprop-2-enyl carbonate (PubChem CID 45277052) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is tert-butyl 2-triethoxysilylprop-2-enyl carbonate.

Molecular Properties

Compound Nametert-butyl 2-triethoxysilylprop-2-enyl carbonate
PubChem CID45277052
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 2-triethoxysilylprop-2-enyl carbonate
SMILESC=C(COC(=O)OC(C)(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O6Si/c1-8-17-21(18-9-2,19-10-3)12(4)11-16-13(15)20-14(5,6)7/h4,8-11H2,1-3,5-7H3
InChIKeyAGGXLUTXXCNRNC-UHFFFAOYSA-N
XLogP3.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 tert-butyl 2-triethoxysilylprop-2-enyl carbonate?
The IUPAC name of tert-butyl 2-triethoxysilylprop-2-enyl carbonate (CID 45277052) is tert-butyl 2-triethoxysilylprop-2-enyl carbonate.
What is the SMILES notation for tert-butyl 2-triethoxysilylprop-2-enyl carbonate?
The canonical SMILES for tert-butyl 2-triethoxysilylprop-2-enyl carbonate is C=C(COC(=O)OC(C)(C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of tert-butyl 2-triethoxysilylprop-2-enyl carbonate?
The InChIKey is AGGXLUTXXCNRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-8-17-21(18-9-2,19-10-3)12(4)11-16-13(15)20-14(5,6)7/h4,8-11H2,1-3,5-7H3.
What are the key properties of tert-butyl 2-triethoxysilylprop-2-enyl carbonate?
tert-butyl 2-triethoxysilylprop-2-enyl carbonate has a molecular weight of 320.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-triethoxysilylprop-2-enyl carbonate is sourced from PubChem (CID 45277052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).