[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate

C30H46O5Sn2 — CID 16705135

IUPAC[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccccc1)O[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
InChIInChI=1S/2C7H6O2.4C4H9.O.2Sn/c2*8-7(9)6-4-2-1-3-5-6;4*1-3-4-2;;;/h2*1-5H,(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyIJQVWOFSFLHPCW-UHFFFAOYSA-L
MW724.12 g/mol
LogP8.80
Rot. Bonds18

About [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate

[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate (PubChem CID 16705135) has the molecular formula C30H46O5Sn2 and a molecular weight of 724.12 g/mol. Its IUPAC name is [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate.

Molecular Properties

Compound Name[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
PubChem CID16705135
Molecular FormulaC30H46O5Sn2
Molecular Weight724.12 g/mol
Exact Mass726.14
IUPAC Name[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccccc1)O[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
InChIInChI=1S/2C7H6O2.4C4H9.O.2Sn/c2*8-7(9)6-4-2-1-3-5-6;4*1-3-4-2;;;/h2*1-5H,(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyIJQVWOFSFLHPCW-UHFFFAOYSA-L
XLogP8.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.12
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

triethylstannyl benzoate
CID 16692834
methyl benzoate;pentane
CID 142510193
5-tributylstannylpentyl benzoate
CID 11533119
(111C)butyl benzoate
CID 11994383
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate
CID 139672402
tributylstannyl pyridine-4-carboxylate
CID 16683957
[3-methyl-2-(tributylstannylmethyl)but-2-enoyl] benzoate
CID 135007462
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248

Frequently Asked Questions

What is the IUPAC name of [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate?
The IUPAC name of [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate (CID 16705135) is [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate.
What is the SMILES notation for [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate?
The canonical SMILES for [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate is CCCC[Sn](CCCC)(OC(=O)c1ccccc1)O[Sn](CCCC)(CCCC)OC(=O)c1ccccc1.
What is the InChIKey of [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate?
The InChIKey is IJQVWOFSFLHPCW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.4C4H9.O.2Sn/c2*8-7(9)6-4-2-1-3-5-6;4*1-3-4-2;;;/h2*1-5H,(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate?
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate has a molecular weight of 724.12 g/mol, XLogP of 8.80, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate is sourced from PubChem (CID 16705135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).