trimethylsilyl oxolane-2-carboxylate

C8H16O3Si — CID 523316

IUPACtrimethylsilyl oxolane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCO1
InChIInChI=1S/C8H16O3Si/c1-12(2,3)11-8(9)7-5-4-6-10-7/h7H,4-6H2,1-3H3
InChIKeyOLBMHBZNXUPPKX-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.54
Rot. Bonds2

About trimethylsilyl oxolane-2-carboxylate

trimethylsilyl oxolane-2-carboxylate (PubChem CID 523316) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is trimethylsilyl oxolane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl oxolane-2-carboxylate
PubChem CID523316
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Nametrimethylsilyl oxolane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCO1
InChIInChI=1S/C8H16O3Si/c1-12(2,3)11-8(9)7-5-4-6-10-7/h7H,4-6H2,1-3H3
InChIKeyOLBMHBZNXUPPKX-UHFFFAOYSA-N
XLogP1.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl oxolane-2-carboxylate?
The IUPAC name of trimethylsilyl oxolane-2-carboxylate (CID 523316) is trimethylsilyl oxolane-2-carboxylate.
What is the SMILES notation for trimethylsilyl oxolane-2-carboxylate?
The canonical SMILES for trimethylsilyl oxolane-2-carboxylate is C[Si](C)(C)OC(=O)C1CCCO1.
What is the InChIKey of trimethylsilyl oxolane-2-carboxylate?
The InChIKey is OLBMHBZNXUPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-12(2,3)11-8(9)7-5-4-6-10-7/h7H,4-6H2,1-3H3.
What are the key properties of trimethylsilyl oxolane-2-carboxylate?
trimethylsilyl oxolane-2-carboxylate has a molecular weight of 188.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl oxolane-2-carboxylate is sourced from PubChem (CID 523316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).