trimethylsilyl cyclopentanecarboxylate

C9H18O2Si — CID 522818

IUPACtrimethylsilyl cyclopentanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyRCNLUVBAZAMEIC-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.55
Rot. Bonds2

About trimethylsilyl cyclopentanecarboxylate

trimethylsilyl cyclopentanecarboxylate (PubChem CID 522818) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is trimethylsilyl cyclopentanecarboxylate.

Molecular Properties

Compound Nametrimethylsilyl cyclopentanecarboxylate
PubChem CID522818
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nametrimethylsilyl cyclopentanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyRCNLUVBAZAMEIC-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.55
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 cyclopentanecarboxylate?
The IUPAC name of trimethylsilyl cyclopentanecarboxylate (CID 522818) is trimethylsilyl cyclopentanecarboxylate.
What is the SMILES notation for trimethylsilyl cyclopentanecarboxylate?
The canonical SMILES for trimethylsilyl cyclopentanecarboxylate is C[Si](C)(C)OC(=O)C1CCCC1.
What is the InChIKey of trimethylsilyl cyclopentanecarboxylate?
The InChIKey is RCNLUVBAZAMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of trimethylsilyl cyclopentanecarboxylate?
trimethylsilyl cyclopentanecarboxylate has a molecular weight of 186.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl cyclopentanecarboxylate is sourced from PubChem (CID 522818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).