trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate

C9H16O4Si — CID 567315

IUPACtrimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate
SMILESCC1(C(=O)O[Si](C)(C)C)CCC(=O)O1
InChIInChI=1S/C9H16O4Si/c1-9(6-5-7(10)12-9)8(11)13-14(2,3)4/h5-6H2,1-4H3
InChIKeyNUXDZYAQOFZLJL-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.46
Rot. Bonds2

About trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate

trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate (PubChem CID 567315) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate
PubChem CID567315
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Nametrimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate
SMILESCC1(C(=O)O[Si](C)(C)C)CCC(=O)O1
InChIInChI=1S/C9H16O4Si/c1-9(6-5-7(10)12-9)8(11)13-14(2,3)4/h5-6H2,1-4H3
InChIKeyNUXDZYAQOFZLJL-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.46
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

tert-butyl (2R)-2-methyl-5-oxooxolane-2-carboxylate
CID 167146974
Dimethyl 2-methyl-2-trimethylsilyloxypentanedioate
CID 11065252

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate?
The IUPAC name of trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate (CID 567315) is trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate?
The canonical SMILES for trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate is CC1(C(=O)O[Si](C)(C)C)CCC(=O)O1.
What is the InChIKey of trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate?
The InChIKey is NUXDZYAQOFZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-9(6-5-7(10)12-9)8(11)13-14(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate?
trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate has a molecular weight of 216.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 567315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).