tributylstannyl 2-hydroxybenzoate

C19H32O3Sn — CID 16683071

IUPACtributylstannyl 2-hydroxybenzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1O
InChIInChI=1S/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyZSMRBQSZBQBLKB-UHFFFAOYSA-M
MW427.17 g/mol
LogP5.89
Rot. Bonds11

About tributylstannyl 2-hydroxybenzoate

tributylstannyl 2-hydroxybenzoate (PubChem CID 16683071) has the molecular formula C19H32O3Sn and a molecular weight of 427.17 g/mol. Its IUPAC name is tributylstannyl 2-hydroxybenzoate.

Molecular Properties

Compound Nametributylstannyl 2-hydroxybenzoate
PubChem CID16683071
Molecular FormulaC19H32O3Sn
Molecular Weight427.17 g/mol
Exact Mass428.14
IUPAC Nametributylstannyl 2-hydroxybenzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1O
InChIInChI=1S/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyZSMRBQSZBQBLKB-UHFFFAOYSA-M
XLogP5.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.17
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl 2-hydroxybenzoate?
The IUPAC name of tributylstannyl 2-hydroxybenzoate (CID 16683071) is tributylstannyl 2-hydroxybenzoate.
What is the SMILES notation for tributylstannyl 2-hydroxybenzoate?
The canonical SMILES for tributylstannyl 2-hydroxybenzoate is CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1O.
What is the InChIKey of tributylstannyl 2-hydroxybenzoate?
The InChIKey is ZSMRBQSZBQBLKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl 2-hydroxybenzoate?
tributylstannyl 2-hydroxybenzoate has a molecular weight of 427.17 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl 2-hydroxybenzoate is sourced from PubChem (CID 16683071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).