[methoxy(oxo)silyl] acetate

C3H6O4Si — CID 56988795

IUPAC[methoxy(oxo)silyl] acetate
SMILESCO[Si](=O)OC(C)=O
InChIInChI=1S/C3H6O4Si/c1-3(4)7-8(5)6-2/h1-2H3
InChIKeySUSSUXHCHHBSSR-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.39
Rot. Bonds2

About [methoxy(oxo)silyl] acetate

[methoxy(oxo)silyl] acetate (PubChem CID 56988795) has the molecular formula C3H6O4Si and a molecular weight of 134.16 g/mol. Its IUPAC name is [methoxy(oxo)silyl] acetate.

Molecular Properties

Compound Name[methoxy(oxo)silyl] acetate
PubChem CID56988795
Molecular FormulaC3H6O4Si
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name[methoxy(oxo)silyl] acetate
SMILESCO[Si](=O)OC(C)=O
InChIInChI=1S/C3H6O4Si/c1-3(4)7-8(5)6-2/h1-2H3
InChIKeySUSSUXHCHHBSSR-UHFFFAOYSA-N
XLogP-0.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 136913414
CID 136913414
methyl acetate;ruthenium
CID 160799101
methyl acetate;titanium
CID 87665287
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
methane;methyl acetate
CID 162094565
CID 159985177
CID 159985177
CID 18991943
CID 18991943
(2R,3R)-2,3-diacetyloxy-4-methoxy-4-oxobutanoic acid
CID 2007459
deuteride;methyl acetate;hydrate
CID 160772266

Frequently Asked Questions

What is the IUPAC name of [methoxy(oxo)silyl] acetate?
The IUPAC name of [methoxy(oxo)silyl] acetate (CID 56988795) is [methoxy(oxo)silyl] acetate.
What is the SMILES notation for [methoxy(oxo)silyl] acetate?
The canonical SMILES for [methoxy(oxo)silyl] acetate is CO[Si](=O)OC(C)=O.
What is the InChIKey of [methoxy(oxo)silyl] acetate?
The InChIKey is SUSSUXHCHHBSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4Si/c1-3(4)7-8(5)6-2/h1-2H3.
What are the key properties of [methoxy(oxo)silyl] acetate?
[methoxy(oxo)silyl] acetate has a molecular weight of 134.16 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(oxo)silyl] acetate is sourced from PubChem (CID 56988795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).