tributylstannanylium formate

C13H28O2Sn — CID 22167734

IUPACtributylstannanylium formate
SMILESCCCC[Sn+](CCCC)CCCC.O=C[O-]
InChIInChI=1S/3C4H9.CH2O2.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;1H,(H,2,3);/q;;;;+1/p-1
InChIKeyPOUGAXCXKDLEMK-UHFFFAOYSA-M
MW335.08 g/mol
LogP3.25
Rot. Bonds9

About tributylstannanylium formate

tributylstannanylium formate (PubChem CID 22167734) has the molecular formula C13H28O2Sn and a molecular weight of 335.08 g/mol. Its IUPAC name is tributylstannanylium formate.

Molecular Properties

Compound Nametributylstannanylium formate
PubChem CID22167734
Molecular FormulaC13H28O2Sn
Molecular Weight335.08 g/mol
Exact Mass336.11
IUPAC Nametributylstannanylium formate
SMILESCCCC[Sn+](CCCC)CCCC.O=C[O-]
InChIInChI=1S/3C4H9.CH2O2.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;1H,(H,2,3);/q;;;;+1/p-1
InChIKeyPOUGAXCXKDLEMK-UHFFFAOYSA-M
XLogP3.25
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
tributylstannanylium sulfamate
CID 175434161
dibutyl(propyl)stannanylium chloride
CID 23200296
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
methanolate;trioctylstannanylium
CID 23295104
2-sulfanylacetate;tributylstannanylium
CID 161006550
tri(tetradecyl)stannanylium chloride
CID 88819643
bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
CID 173422883

Frequently Asked Questions

What is the IUPAC name of tributylstannanylium formate?
The IUPAC name of tributylstannanylium formate (CID 22167734) is tributylstannanylium formate.
What is the SMILES notation for tributylstannanylium formate?
The canonical SMILES for tributylstannanylium formate is CCCC[Sn+](CCCC)CCCC.O=C[O-].
What is the InChIKey of tributylstannanylium formate?
The InChIKey is POUGAXCXKDLEMK-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.CH2O2.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;1H,(H,2,3);/q;;;;+1/p-1.
What are the key properties of tributylstannanylium formate?
tributylstannanylium formate has a molecular weight of 335.08 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannanylium formate is sourced from PubChem (CID 22167734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).