[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate

C12H19NO7Si — CID 22282768

IUPAC[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)O[Si](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H19NO7Si/c1-6-21(18-9(4)14,19-10(5)15)20-11(16)7-13-12(17)8(2)3/h2,6-7H2,1,3-5H3,(H,13,17)
InChIKeyQKHCDIGDVPUEOP-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.31
Rot. Bonds7

About [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate

[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate (PubChem CID 22282768) has the molecular formula C12H19NO7Si and a molecular weight of 317.37 g/mol. Its IUPAC name is [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Name[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate
PubChem CID22282768
Molecular FormulaC12H19NO7Si
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)O[Si](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H19NO7Si/c1-6-21(18-9(4)14,19-10(5)15)20-11(16)7-13-12(17)8(2)3/h2,6-7H2,1,3-5H3,(H,13,17)
InChIKeyQKHCDIGDVPUEOP-UHFFFAOYSA-N
XLogP0.31
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate (CID 22282768) is [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NCC(=O)O[Si](CC)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is QKHCDIGDVPUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7Si/c1-6-21(18-9(4)14,19-10(5)15)20-11(16)7-13-12(17)8(2)3/h2,6-7H2,1,3-5H3,(H,13,17).
What are the key properties of [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate?
[diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 317.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(ethyl)silyl] 2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 22282768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).