[diacetyloxy(butyl)silyl] acetate;prop-2-enamide

C13H23NO7Si — CID 158770518

IUPAC[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
SMILESC=CC(N)=O.CCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H18O6Si.C3H5NO/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13;1-2-3(4)5/h5-7H2,1-4H3;2H,1H2,(H2,4,5)
InChIKeyIPUOIISCDPQLHC-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.07
Rot. Bonds7

About [diacetyloxy(butyl)silyl] acetate;prop-2-enamide

[diacetyloxy(butyl)silyl] acetate;prop-2-enamide (PubChem CID 158770518) has the molecular formula C13H23NO7Si and a molecular weight of 333.41 g/mol. Its IUPAC name is [diacetyloxy(butyl)silyl] acetate;prop-2-enamide.

Molecular Properties

Compound Name[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
PubChem CID158770518
Molecular FormulaC13H23NO7Si
Molecular Weight333.41 g/mol
Exact Mass333.12
IUPAC Name[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
SMILESC=CC(N)=O.CCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C10H18O6Si.C3H5NO/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13;1-2-3(4)5/h5-7H2,1-4H3;2H,1H2,(H2,4,5)
InChIKeyIPUOIISCDPQLHC-UHFFFAOYSA-N
XLogP1.07
TPSA121.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.07
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

pentane;prop-2-enamide
CID 139391622
[diacetyloxy(oct-7-enyl)silyl] acetate
CID 145259170
[butyl(dimethyl)silyl] acetate
CID 22926546
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314
decan-1-amine;prop-2-enamide
CID 162009588
butyl carbamate;prop-2-enamide
CID 174431220
tridodecylsilyl acetate
CID 22926548
[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
CID 174431894
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
CID 172708986
CID 172708986

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(butyl)silyl] acetate;prop-2-enamide?
The IUPAC name of [diacetyloxy(butyl)silyl] acetate;prop-2-enamide (CID 158770518) is [diacetyloxy(butyl)silyl] acetate;prop-2-enamide.
What is the SMILES notation for [diacetyloxy(butyl)silyl] acetate;prop-2-enamide?
The canonical SMILES for [diacetyloxy(butyl)silyl] acetate;prop-2-enamide is C=CC(N)=O.CCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(butyl)silyl] acetate;prop-2-enamide?
The InChIKey is IPUOIISCDPQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si.C3H5NO/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13;1-2-3(4)5/h5-7H2,1-4H3;2H,1H2,(H2,4,5).
What are the key properties of [diacetyloxy(butyl)silyl] acetate;prop-2-enamide?
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide has a molecular weight of 333.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(butyl)silyl] acetate;prop-2-enamide is sourced from PubChem (CID 158770518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).