2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate

C12H26O7Si2 — CID 174797718

IUPAC2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate
SMILESCC(=O)OC=COC(C)=O.CC(=O)O[SiH3].CC(C)(C)O[SiH3]
InChIInChI=1S/C6H8O4.C4H12OSi.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-4(2,3)5-6;1-2(3)4-5/h3-4H,1-2H3;1-3,6H3;1,5H3
InChIKeyIFECTZOPECKBBS-UHFFFAOYSA-N
MW338.51 g/mol
LogP-0.50
Rot. Bonds2

About 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate

2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate (PubChem CID 174797718) has the molecular formula C12H26O7Si2 and a molecular weight of 338.51 g/mol. Its IUPAC name is 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate.

Molecular Properties

Compound Name2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate
PubChem CID174797718
Molecular FormulaC12H26O7Si2
Molecular Weight338.51 g/mol
Exact Mass338.12
IUPAC Name2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate
SMILESCC(=O)OC=COC(C)=O.CC(=O)O[SiH3].CC(C)(C)O[SiH3]
InChIInChI=1S/C6H8O4.C4H12OSi.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-4(2,3)5-6;1-2(3)4-5/h3-4H,1-2H3;1-3,6H3;1,5H3
InChIKeyIFECTZOPECKBBS-UHFFFAOYSA-N
XLogP-0.50
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

Acetic acid;dihydroxy-[2-[(2-methylpropan-2-yl)oxy]ethenyl]silane
CID 170839972
Ethenyl acetate;2-methoxy-2-methylpropane
CID 20093846
Ethenyl acetate;2-methylpropoxysilane
CID 159787545
Tert-butyl silyl carbonate;ethenyl acetate
CID 174499032

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate?
The IUPAC name of 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate (CID 174797718) is 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate.
What is the SMILES notation for 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate?
The canonical SMILES for 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate is CC(=O)OC=COC(C)=O.CC(=O)O[SiH3].CC(C)(C)O[SiH3].
What is the InChIKey of 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate?
The InChIKey is IFECTZOPECKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.C4H12OSi.C2H6O2Si/c1-5(7)9-3-4-10-6(2)8;1-4(2,3)5-6;1-2(3)4-5/h3-4H,1-2H3;1-3,6H3;1,5H3.
What are the key properties of 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate?
2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate has a molecular weight of 338.51 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethenyl acetate;(2-methylpropan-2-yl)oxysilane;silyl acetate is sourced from PubChem (CID 174797718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).