4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate

C14H26O6Si — CID 155931206

IUPAC4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate
SMILESCCOC(=O)C(=O)C(C)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H26O6Si/c1-9-19-11(16)10(15)14(5,12(17)18-6)20-21(7,8)13(2,3)4/h9H2,1-8H3
InChIKeySIXNRWVPSHPFMU-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.07
Rot. Bonds6

About 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate

4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate (PubChem CID 155931206) has the molecular formula C14H26O6Si and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate.

Molecular Properties

Compound Name4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate
PubChem CID155931206
Molecular FormulaC14H26O6Si
Molecular Weight318.44 g/mol
Exact Mass318.15
IUPAC Name4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate
SMILESCCOC(=O)C(=O)C(C)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H26O6Si/c1-9-19-11(16)10(15)14(5,12(17)18-6)20-21(7,8)13(2,3)4/h9H2,1-8H3
InChIKeySIXNRWVPSHPFMU-UHFFFAOYSA-N
XLogP2.07
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate?
The IUPAC name of 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate (CID 155931206) is 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate.
What is the SMILES notation for 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate?
The canonical SMILES for 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate is CCOC(=O)C(=O)C(C)(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate?
The InChIKey is SIXNRWVPSHPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6Si/c1-9-19-11(16)10(15)14(5,12(17)18-6)20-21(7,8)13(2,3)4/h9H2,1-8H3.
What are the key properties of 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate?
4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate has a molecular weight of 318.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxobutanedioate is sourced from PubChem (CID 155931206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).