tribenzylstannyl acetate

C23H24O2Sn — CID 16683337

IUPACtribenzylstannyl acetate
SMILESCC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.C2H4O2.Sn/c3*1-7-5-3-2-4-6-7;1-2(3)4;/h3*2-6H,1H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyLNANSYMQXPWAEI-UHFFFAOYSA-M
MW451.15 g/mol
LogP4.84
Rot. Bonds7

About tribenzylstannyl acetate

tribenzylstannyl acetate (PubChem CID 16683337) has the molecular formula C23H24O2Sn and a molecular weight of 451.15 g/mol. Its IUPAC name is tribenzylstannyl acetate.

Molecular Properties

Compound Nametribenzylstannyl acetate
PubChem CID16683337
Molecular FormulaC23H24O2Sn
Molecular Weight451.15 g/mol
Exact Mass452.08
IUPAC Nametribenzylstannyl acetate
SMILESCC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.C2H4O2.Sn/c3*1-7-5-3-2-4-6-7;1-2(3)4;/h3*2-6H,1H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyLNANSYMQXPWAEI-UHFFFAOYSA-M
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.15
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tribenzylstannyl acetate?
The IUPAC name of tribenzylstannyl acetate (CID 16683337) is tribenzylstannyl acetate.
What is the SMILES notation for tribenzylstannyl acetate?
The canonical SMILES for tribenzylstannyl acetate is CC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzylstannyl acetate?
The InChIKey is LNANSYMQXPWAEI-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7.C2H4O2.Sn/c3*1-7-5-3-2-4-6-7;1-2(3)4;/h3*2-6H,1H2;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of tribenzylstannyl acetate?
tribenzylstannyl acetate has a molecular weight of 451.15 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzylstannyl acetate is sourced from PubChem (CID 16683337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).