(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate

C11H18O6Si — CID 151424418

IUPAC(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)O[Si](C)(CC)OC(C)=O
InChIInChI=1S/C11H18O6Si/c1-6-10(13)15-8(3)11(14)17-18(5,7-2)16-9(4)12/h6,8H,1,7H2,2-5H3
InChIKeyPBFLGKQLXSKZJF-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.30
Rot. Bonds6

About (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate

(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate (PubChem CID 151424418) has the molecular formula C11H18O6Si and a molecular weight of 274.34 g/mol. Its IUPAC name is (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate
PubChem CID151424418
Molecular FormulaC11H18O6Si
Molecular Weight274.34 g/mol
Exact Mass274.09
IUPAC Name(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)O[Si](C)(CC)OC(C)=O
InChIInChI=1S/C11H18O6Si/c1-6-10(13)15-8(3)11(14)17-18(5,7-2)16-9(4)12/h6,8H,1,7H2,2-5H3
InChIKeyPBFLGKQLXSKZJF-UHFFFAOYSA-N
XLogP1.30
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate?
The IUPAC name of (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate (CID 151424418) is (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate.
What is the SMILES notation for (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate?
The canonical SMILES for (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)C(=O)O[Si](C)(CC)OC(C)=O.
What is the InChIKey of (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate?
The InChIKey is PBFLGKQLXSKZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6Si/c1-6-10(13)15-8(3)11(14)17-18(5,7-2)16-9(4)12/h6,8H,1,7H2,2-5H3.
What are the key properties of (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate?
(acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate has a molecular weight of 274.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-ethyl-methylsilyl) 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 151424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).