[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide

C12H21NO7Si — CID 174431894

IUPAC[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H14O6Si.C4H7NO/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H2,5,6)
InChIKeyHMQUCJHDRHQCLH-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.68
Rot. Bonds5

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

[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide (PubChem CID 174431894) has the molecular formula C12H21NO7Si and a molecular weight of 319.39 g/mol. Its IUPAC name is [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide.

Molecular Properties

Compound Name[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
PubChem CID174431894
Molecular FormulaC12H21NO7Si
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H14O6Si.C4H7NO/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H2,5,6)
InChIKeyHMQUCJHDRHQCLH-UHFFFAOYSA-N
XLogP0.68
TPSA121.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.68
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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Related Compounds

[2-[diacetyloxy(ethyl)silyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 150072547
(acetyloxy-ethyl-methoxysilyl) acetate
CID 18952615
[acetyloxy(diethoxy)silyl]methyl 2-methylprop-2-enoate
CID 22457247
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265
2-methylprop-2-enamide;hydrate
CID 88749193
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
[diacetyloxy(sulfanylmethyl)silyl] acetate
CID 23065821
[diacetyloxy(2-methylprop-2-enoxymethyl)silyl] acetate
CID 23065830

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide?
The IUPAC name of [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide (CID 174431894) is [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide.
What is the SMILES notation for [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide?
The canonical SMILES for [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide is C=C(C)C(N)=O.CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide?
The InChIKey is HMQUCJHDRHQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6Si.C4H7NO/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H2,5,6).
What are the key properties of [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide?
[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide has a molecular weight of 319.39 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide is sourced from PubChem (CID 174431894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).