trimethylsilyl cyclobutanecarboxylate

C8H16O2Si — CID 529210

IUPACtrimethylsilyl cyclobutanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC1
InChIInChI=1S/C8H16O2Si/c1-11(2,3)10-8(9)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBEEWAPHKDOACBB-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.16
Rot. Bonds2

About trimethylsilyl cyclobutanecarboxylate

trimethylsilyl cyclobutanecarboxylate (PubChem CID 529210) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is trimethylsilyl cyclobutanecarboxylate.

Molecular Properties

Compound Nametrimethylsilyl cyclobutanecarboxylate
PubChem CID529210
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Nametrimethylsilyl cyclobutanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC1
InChIInChI=1S/C8H16O2Si/c1-11(2,3)10-8(9)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBEEWAPHKDOACBB-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclobutanecarboxylate?
The IUPAC name of trimethylsilyl cyclobutanecarboxylate (CID 529210) is trimethylsilyl cyclobutanecarboxylate.
What is the SMILES notation for trimethylsilyl cyclobutanecarboxylate?
The canonical SMILES for trimethylsilyl cyclobutanecarboxylate is C[Si](C)(C)OC(=O)C1CCC1.
What is the InChIKey of trimethylsilyl cyclobutanecarboxylate?
The InChIKey is BEEWAPHKDOACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-11(2,3)10-8(9)7-5-4-6-7/h7H,4-6H2,1-3H3.
What are the key properties of trimethylsilyl cyclobutanecarboxylate?
trimethylsilyl cyclobutanecarboxylate has a molecular weight of 172.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl cyclobutanecarboxylate is sourced from PubChem (CID 529210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).