[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate

C11H18O7Si — CID 141012746

IUPAC[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate
SMILESC=CC(=O)OC[Si](OCC)(OC(C)=O)OC(=O)CC
InChIInChI=1S/C11H18O7Si/c1-5-10(13)15-8-19(16-7-3,17-9(4)12)18-11(14)6-2/h5H,1,6-8H2,2-4H3
InChIKeyGJTHHHWGEZRPEZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.75
Rot. Bonds8

About [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate

[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate (PubChem CID 141012746) has the molecular formula C11H18O7Si and a molecular weight of 290.34 g/mol. Its IUPAC name is [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate.

Molecular Properties

Compound Name[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate
PubChem CID141012746
Molecular FormulaC11H18O7Si
Molecular Weight290.34 g/mol
Exact Mass290.08
IUPAC Name[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate
SMILESC=CC(=O)OC[Si](OCC)(OC(C)=O)OC(=O)CC
InChIInChI=1S/C11H18O7Si/c1-5-10(13)15-8-19(16-7-3,17-9(4)12)18-11(14)6-2/h5H,1,6-8H2,2-4H3
InChIKeyGJTHHHWGEZRPEZ-UHFFFAOYSA-N
XLogP0.75
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

CID 166519746
CID 166519746
[acetyloxy(diethoxy)silyl]methyl 2-methylprop-2-enoate
CID 22457247
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
(ethoxy-ethyl-propylsilyl)methyl prop-2-enoate
CID 141190333
2-[ethoxy(diethyl)silyl]ethyl prop-2-enoate
CID 140668278
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
2-[diacetyloxy(methyl)silyl]ethyl prop-2-enoate
CID 154136555
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
[dichloro(ethyl)silyl]methyl prop-2-enoate
CID 140514635

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate?
The IUPAC name of [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate (CID 141012746) is [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate.
What is the SMILES notation for [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate?
The canonical SMILES for [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate is C=CC(=O)OC[Si](OCC)(OC(C)=O)OC(=O)CC.
What is the InChIKey of [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate?
The InChIKey is GJTHHHWGEZRPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7Si/c1-5-10(13)15-8-19(16-7-3,17-9(4)12)18-11(14)6-2/h5H,1,6-8H2,2-4H3.
What are the key properties of [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate?
[acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate has a molecular weight of 290.34 g/mol, XLogP of 0.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-ethoxy-(prop-2-enoyloxymethyl)silyl] propanoate is sourced from PubChem (CID 141012746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).