tricyclohexylstannanylium acetate

C20H36O2Sn — CID 19896335

IUPACtricyclohexylstannanylium acetate
SMILESC1CCC([Sn+](C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-]
InChIInChI=1S/3C6H11.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyFJEZLYTXQIEUAT-UHFFFAOYSA-M
MW427.22 g/mol
LogP5.24
Rot. Bonds3

About tricyclohexylstannanylium acetate

tricyclohexylstannanylium acetate (PubChem CID 19896335) has the molecular formula C20H36O2Sn and a molecular weight of 427.22 g/mol. Its IUPAC name is tricyclohexylstannanylium acetate.

Molecular Properties

Compound Nametricyclohexylstannanylium acetate
PubChem CID19896335
Molecular FormulaC20H36O2Sn
Molecular Weight427.22 g/mol
Exact Mass428.17
IUPAC Nametricyclohexylstannanylium acetate
SMILESC1CCC([Sn+](C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-]
InChIInChI=1S/3C6H11.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyFJEZLYTXQIEUAT-UHFFFAOYSA-M
XLogP5.24
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclohexylstannanylium acetate?
The IUPAC name of tricyclohexylstannanylium acetate (CID 19896335) is tricyclohexylstannanylium acetate.
What is the SMILES notation for tricyclohexylstannanylium acetate?
The canonical SMILES for tricyclohexylstannanylium acetate is C1CCC([Sn+](C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].
What is the InChIKey of tricyclohexylstannanylium acetate?
The InChIKey is FJEZLYTXQIEUAT-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H11.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of tricyclohexylstannanylium acetate?
tricyclohexylstannanylium acetate has a molecular weight of 427.22 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexylstannanylium acetate is sourced from PubChem (CID 19896335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).