2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate

C7H14O4Si — CID 123731599

IUPAC2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate
SMILESCCOC(=O)C(=O)OC[SiH](C)C
InChIInChI=1S/C7H14O4Si/c1-4-10-6(8)7(9)11-5-12(2)3/h12H,4-5H2,1-3H3
InChIKeyOBNCHONKMLYJKT-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.12
Rot. Bonds3

About 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate

2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate (PubChem CID 123731599) has the molecular formula C7H14O4Si and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate.

Molecular Properties

Compound Name2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate
PubChem CID123731599
Molecular FormulaC7H14O4Si
Molecular Weight190.27 g/mol
Exact Mass190.07
IUPAC Name2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate
SMILESCCOC(=O)C(=O)OC[SiH](C)C
InChIInChI=1S/C7H14O4Si/c1-4-10-6(8)7(9)11-5-12(2)3/h12H,4-5H2,1-3H3
InChIKeyOBNCHONKMLYJKT-UHFFFAOYSA-N
XLogP0.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159370772
CID 159370772
diethyl oxalate;ethyl acetate
CID 160900883
1-O-ethyl 2-O-propyl oxalate
CID 6420312
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 2,3-difluorobut-2-enoate
CID 73190120
ethyl 2-iodo-2-oxoacetate
CID 13205341
potassium 2-ethoxy-2-oxoacetate
CID 23678856
CID 159689459
CID 159689459
2-O-(diaminomethylideneamino) 1-O-ethyl oxalate
CID 57134216
ethyl 2-chloro-2-oxoacetate;hydrate
CID 174430956
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl (2E,4E)-2,3,4,5-tetraethylhexa-2,4-dienedioate
CID 101172123

Frequently Asked Questions

What is the IUPAC name of 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate?
The IUPAC name of 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate (CID 123731599) is 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate.
What is the SMILES notation for 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate?
The canonical SMILES for 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate is CCOC(=O)C(=O)OC[SiH](C)C.
What is the InChIKey of 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate?
The InChIKey is OBNCHONKMLYJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4Si/c1-4-10-6(8)7(9)11-5-12(2)3/h12H,4-5H2,1-3H3.
What are the key properties of 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate?
2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate has a molecular weight of 190.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(dimethylsilylmethyl) 1-O-ethyl oxalate is sourced from PubChem (CID 123731599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).