2-triacetyloxysilylethyl 2-methylprop-2-enoate

C12H18O8Si — CID 22457265

IUPAC2-triacetyloxysilylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H18O8Si/c1-8(2)12(16)17-6-7-21(18-9(3)13,19-10(4)14)20-11(5)15/h1,6-7H2,2-5H3
InChIKeyPNHSPBNCKHVJCA-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.73
Rot. Bonds7

About 2-triacetyloxysilylethyl 2-methylprop-2-enoate

2-triacetyloxysilylethyl 2-methylprop-2-enoate (PubChem CID 22457265) has the molecular formula C12H18O8Si and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-triacetyloxysilylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-triacetyloxysilylethyl 2-methylprop-2-enoate
PubChem CID22457265
Molecular FormulaC12H18O8Si
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-triacetyloxysilylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H18O8Si/c1-8(2)12(16)17-6-7-21(18-9(3)13,19-10(4)14)20-11(5)15/h1,6-7H2,2-5H3
InChIKeyPNHSPBNCKHVJCA-UHFFFAOYSA-N
XLogP0.73
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
CID 171058419
2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
3-[diacetyloxy(ethyl)silyl]propyl 2-methylprop-2-enoate
CID 139835403
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
[acetyloxy(diethoxy)silyl]methyl 2-methylprop-2-enoate
CID 22457247
[2-[diacetyloxy(ethyl)silyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 150072547
2-[chloro(diethyl)silyl]ethyl 2-methylprop-2-enoate
CID 156690552
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-triacetyloxysilylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-triacetyloxysilylethyl 2-methylprop-2-enoate (CID 22457265) is 2-triacetyloxysilylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-triacetyloxysilylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-triacetyloxysilylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of 2-triacetyloxysilylethyl 2-methylprop-2-enoate?
The InChIKey is PNHSPBNCKHVJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8Si/c1-8(2)12(16)17-6-7-21(18-9(3)13,19-10(4)14)20-11(5)15/h1,6-7H2,2-5H3.
What are the key properties of 2-triacetyloxysilylethyl 2-methylprop-2-enoate?
2-triacetyloxysilylethyl 2-methylprop-2-enoate has a molecular weight of 318.35 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triacetyloxysilylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22457265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).