trimethylsilyl cyclohexanecarboxylate

C10H20O2Si — CID 522350

IUPACtrimethylsilyl cyclohexanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCCC1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyPYJUBHQOZUNCIC-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.94
Rot. Bonds2

About trimethylsilyl cyclohexanecarboxylate

trimethylsilyl cyclohexanecarboxylate (PubChem CID 522350) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is trimethylsilyl cyclohexanecarboxylate.

Molecular Properties

Compound Nametrimethylsilyl cyclohexanecarboxylate
PubChem CID522350
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nametrimethylsilyl cyclohexanecarboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCCC1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyPYJUBHQOZUNCIC-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.94
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 cyclohexanecarboxylate?
The IUPAC name of trimethylsilyl cyclohexanecarboxylate (CID 522350) is trimethylsilyl cyclohexanecarboxylate.
What is the SMILES notation for trimethylsilyl cyclohexanecarboxylate?
The canonical SMILES for trimethylsilyl cyclohexanecarboxylate is C[Si](C)(C)OC(=O)C1CCCCC1.
What is the InChIKey of trimethylsilyl cyclohexanecarboxylate?
The InChIKey is PYJUBHQOZUNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of trimethylsilyl cyclohexanecarboxylate?
trimethylsilyl cyclohexanecarboxylate has a molecular weight of 200.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl cyclohexanecarboxylate is sourced from PubChem (CID 522350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).