tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate

C31H58O6SSn2 — CID 16683085

IUPACtributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1cc(S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC)ccc1O
InChIInChI=1S/C7H6O6S.6C4H9.2Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;6*1-3-4-2;;/h1-3,8H,(H,9,10)(H,11,12,13);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKeyKWFQHMKDEMNUQC-UHFFFAOYSA-L
MW796.29 g/mol
LogP9.95
Rot. Bonds23

About tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate

tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate (PubChem CID 16683085) has the molecular formula C31H58O6SSn2 and a molecular weight of 796.29 g/mol. Its IUPAC name is tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate.

Molecular Properties

Compound Nametributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate
PubChem CID16683085
Molecular FormulaC31H58O6SSn2
Molecular Weight796.29 g/mol
Exact Mass798.20
IUPAC Nametributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1cc(S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC)ccc1O
InChIInChI=1S/C7H6O6S.6C4H9.2Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;6*1-3-4-2;;/h1-3,8H,(H,9,10)(H,11,12,13);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKeyKWFQHMKDEMNUQC-UHFFFAOYSA-L
XLogP9.95
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.29
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
CID 16707575
2-methylbutan-2-yl 5-butoxysulfonyl-2-hydroxybenzoate
CID 147579702
methyl 2-hydroxy-5-methoxysulfonylbenzoate
CID 131860467
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
pentyl 5-amino-2-hydroxybenzoate
CID 61302134
sodium;5-butoxysulfonyl-2-hydroxybenzenesulfonic acid;hydride
CID 173257947
tributylstannyl pyridine-2-sulfonate
CID 163304135
acetic acid;2-hydroxy-5-sulfobenzoic acid;propanoic acid
CID 161008670
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
methyl 5-(hex-1-yn-3-ylsulfamoyl)-2-hydroxybenzoate
CID 106225511
phosphanyl 2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzoate
CID 88673399

Frequently Asked Questions

What is the IUPAC name of tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate?
The IUPAC name of tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate (CID 16683085) is tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate.
What is the SMILES notation for tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate?
The canonical SMILES for tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate is CCCC[Sn](CCCC)(CCCC)OC(=O)c1cc(S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC)ccc1O.
What is the InChIKey of tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate?
The InChIKey is KWFQHMKDEMNUQC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O6S.6C4H9.2Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;6*1-3-4-2;;/h1-3,8H,(H,9,10)(H,11,12,13);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2.
What are the key properties of tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate?
tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate has a molecular weight of 796.29 g/mol, XLogP of 9.95, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate is sourced from PubChem (CID 16683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).