ethyl-dimethoxy-methylsilane;3-methyloxet-2-one

C9H18O4Si — CID 174500991

IUPACethyl-dimethoxy-methylsilane;3-methyloxet-2-one
SMILESCC1=COC1=O.CC[Si](C)(OC)OC
InChIInChI=1S/C5H14O2Si.C4H4O2/c1-5-8(4,6-2)7-3;1-3-2-6-4(3)5/h5H2,1-4H3;2H,1H3
InChIKeyHNBHXRJGNSPING-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.82
Rot. Bonds3

About ethyl-dimethoxy-methylsilane;3-methyloxet-2-one

ethyl-dimethoxy-methylsilane;3-methyloxet-2-one (PubChem CID 174500991) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is ethyl-dimethoxy-methylsilane;3-methyloxet-2-one.

Molecular Properties

Compound Nameethyl-dimethoxy-methylsilane;3-methyloxet-2-one
PubChem CID174500991
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Nameethyl-dimethoxy-methylsilane;3-methyloxet-2-one
SMILESCC1=COC1=O.CC[Si](C)(OC)OC
InChIInChI=1S/C5H14O2Si.C4H4O2/c1-5-8(4,6-2)7-3;1-3-2-6-4(3)5/h5H2,1-4H3;2H,1H3
InChIKeyHNBHXRJGNSPING-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.82
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

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ethyl(trimethyl)azanium;3-methyloxet-2-one
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ethyl-methoxy-methyl-trimethylsilyloxysilane;methane
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ethyl-dimethoxy-methylsilane;ethyl-hydroxy-methoxy-methylsilane;methane;methanol;hydrate
CID 158396193
ethyl-[ethyl(dimethoxy)silyl]oxy-methoxy-methylsilane
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3-[ethyl(dimethyl)azaniumyl]butane-1-sulfonate;3-methyloxet-2-one
CID 134346457
bis(3-[dimethoxy(methyl)silyl]propane-1-thiol);bis(dioxosilane);ethane;bis(ethyl-dimethoxy-methylsilane);tris(hydroxy(trimethoxy)silane)
CID 161151056
dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane
CID 87079251
[dimethoxy(methyl)silyl]methyl-dimethoxy-methylsilane
CID 22340669
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 174105711

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?
The IUPAC name of ethyl-dimethoxy-methylsilane;3-methyloxet-2-one (CID 174500991) is ethyl-dimethoxy-methylsilane;3-methyloxet-2-one.
What is the SMILES notation for ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?
The canonical SMILES for ethyl-dimethoxy-methylsilane;3-methyloxet-2-one is CC1=COC1=O.CC[Si](C)(OC)OC.
What is the InChIKey of ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?
The InChIKey is HNBHXRJGNSPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.C4H4O2/c1-5-8(4,6-2)7-3;1-3-2-6-4(3)5/h5H2,1-4H3;2H,1H3.
What are the key properties of ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?
ethyl-dimethoxy-methylsilane;3-methyloxet-2-one has a molecular weight of 218.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-methylsilane;3-methyloxet-2-one is sourced from PubChem (CID 174500991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).