tribenzylstannyl formate

C22H22O2Sn — CID 16684371

IUPACtribenzylstannyl formate
SMILESO=CO[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.CH2O2.Sn/c3*1-7-5-3-2-4-6-7;2-1-3;/h3*2-6H,1H2;1H,(H,2,3);/q;;;;+1/p-1
InChIKeyMZRLNNGCKVTPAF-UHFFFAOYSA-M
MW437.13 g/mol
LogP4.45
Rot. Bonds8

About tribenzylstannyl formate

tribenzylstannyl formate (PubChem CID 16684371) has the molecular formula C22H22O2Sn and a molecular weight of 437.13 g/mol. Its IUPAC name is tribenzylstannyl formate.

Molecular Properties

Compound Nametribenzylstannyl formate
PubChem CID16684371
Molecular FormulaC22H22O2Sn
Molecular Weight437.13 g/mol
Exact Mass438.06
IUPAC Nametribenzylstannyl formate
SMILESO=CO[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/3C7H7.CH2O2.Sn/c3*1-7-5-3-2-4-6-7;2-1-3;/h3*2-6H,1H2;1H,(H,2,3);/q;;;;+1/p-1
InChIKeyMZRLNNGCKVTPAF-UHFFFAOYSA-M
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tribenzylstannyl formate?
The IUPAC name of tribenzylstannyl formate (CID 16684371) is tribenzylstannyl formate.
What is the SMILES notation for tribenzylstannyl formate?
The canonical SMILES for tribenzylstannyl formate is O=CO[Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzylstannyl formate?
The InChIKey is MZRLNNGCKVTPAF-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7.CH2O2.Sn/c3*1-7-5-3-2-4-6-7;2-1-3;/h3*2-6H,1H2;1H,(H,2,3);/q;;;;+1/p-1.
What are the key properties of tribenzylstannyl formate?
tribenzylstannyl formate has a molecular weight of 437.13 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzylstannyl formate is sourced from PubChem (CID 16684371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).