tert-butyl silyl carbonate;ethenyl acetate

C9H18O5Si — CID 174499032

IUPACtert-butyl silyl carbonate;ethenyl acetate
SMILESC=COC(C)=O.CC(C)(C)OC(=O)O[SiH3]
InChIInChI=1S/C5H12O3Si.C4H6O2/c1-5(2,3)7-4(6)8-9;1-3-6-4(2)5/h1-3,9H3;3H,1H2,2H3
InChIKeyKVGSKZKQLCDXKS-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.91
Rot. Bonds1

About tert-butyl silyl carbonate;ethenyl acetate

tert-butyl silyl carbonate;ethenyl acetate (PubChem CID 174499032) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is tert-butyl silyl carbonate;ethenyl acetate.

Molecular Properties

Compound Nametert-butyl silyl carbonate;ethenyl acetate
PubChem CID174499032
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nametert-butyl silyl carbonate;ethenyl acetate
SMILESC=COC(C)=O.CC(C)(C)OC(=O)O[SiH3]
InChIInChI=1S/C5H12O3Si.C4H6O2/c1-5(2,3)7-4(6)8-9;1-3-6-4(2)5/h1-3,9H3;3H,1H2,2H3
InChIKeyKVGSKZKQLCDXKS-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl silyl carbonate;ethenyl acetate?
The IUPAC name of tert-butyl silyl carbonate;ethenyl acetate (CID 174499032) is tert-butyl silyl carbonate;ethenyl acetate.
What is the SMILES notation for tert-butyl silyl carbonate;ethenyl acetate?
The canonical SMILES for tert-butyl silyl carbonate;ethenyl acetate is C=COC(C)=O.CC(C)(C)OC(=O)O[SiH3].
What is the InChIKey of tert-butyl silyl carbonate;ethenyl acetate?
The InChIKey is KVGSKZKQLCDXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si.C4H6O2/c1-5(2,3)7-4(6)8-9;1-3-6-4(2)5/h1-3,9H3;3H,1H2,2H3.
What are the key properties of tert-butyl silyl carbonate;ethenyl acetate?
tert-butyl silyl carbonate;ethenyl acetate has a molecular weight of 234.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl silyl carbonate;ethenyl acetate is sourced from PubChem (CID 174499032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).