triethylstannyl benzoate

C13H20O2Sn — CID 16692834

IUPACtriethylstannyl benzoate
SMILESCC[Sn](CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C7H6O2.3C2H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyKYFSRNRVSILODI-UHFFFAOYSA-M
MW327.01 g/mol
LogP3.85
Rot. Bonds5

About triethylstannyl benzoate

triethylstannyl benzoate (PubChem CID 16692834) has the molecular formula C13H20O2Sn and a molecular weight of 327.01 g/mol. Its IUPAC name is triethylstannyl benzoate.

Molecular Properties

Compound Nametriethylstannyl benzoate
PubChem CID16692834
Molecular FormulaC13H20O2Sn
Molecular Weight327.01 g/mol
Exact Mass328.05
IUPAC Nametriethylstannyl benzoate
SMILESCC[Sn](CC)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C7H6O2.3C2H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyKYFSRNRVSILODI-UHFFFAOYSA-M
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.01
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzenecarboperoxoic acid;propane
CID 87106834
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
CID 158970570
CID 158970570
CID 162308474
CID 162308474
benzoyloxymethyl(triethyl)azanium
CID 12602694
propyl acetate;propyl benzoate
CID 123140515
ethylphosphanyl benzoate
CID 70434522
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
[diethyl(phenyl)stannyl] acetate
CID 16684174
chloroethane;ethyl benzoate
CID 91175503
ethylsulfanyl benzoate
CID 118035697
(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387

Frequently Asked Questions

What is the IUPAC name of triethylstannyl benzoate?
The IUPAC name of triethylstannyl benzoate (CID 16692834) is triethylstannyl benzoate.
What is the SMILES notation for triethylstannyl benzoate?
The canonical SMILES for triethylstannyl benzoate is CC[Sn](CC)(CC)OC(=O)c1ccccc1.
What is the InChIKey of triethylstannyl benzoate?
The InChIKey is KYFSRNRVSILODI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.3C2H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of triethylstannyl benzoate?
triethylstannyl benzoate has a molecular weight of 327.01 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylstannyl benzoate is sourced from PubChem (CID 16692834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).