triphenylstannanylium;tripropylstannanylium;diacetate

C31H42O4Sn2 — CID 158654614

IUPACtriphenylstannanylium;tripropylstannanylium;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCC[Sn+](CCC)CCC.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.3C3H7.2C2H4O2.2Sn/c3*1-2-4-6-5-3-1;3*1-3-2;2*1-2(3)4;;/h3*1-5H;3*1,3H2,2H3;2*1H3,(H,3,4);;/q;;;;;;;;2*+1/p-2
InChIKeyNZCIZWCSPAPXHG-UHFFFAOYSA-L
MW716.10 g/mol
LogP3.43
Rot. Bonds9

About triphenylstannanylium;tripropylstannanylium;diacetate

triphenylstannanylium;tripropylstannanylium;diacetate (PubChem CID 158654614) has the molecular formula C31H42O4Sn2 and a molecular weight of 716.10 g/mol. Its IUPAC name is triphenylstannanylium;tripropylstannanylium;diacetate.

Molecular Properties

Compound Nametriphenylstannanylium;tripropylstannanylium;diacetate
PubChem CID158654614
Molecular FormulaC31H42O4Sn2
Molecular Weight716.10 g/mol
Exact Mass718.11
IUPAC Nametriphenylstannanylium;tripropylstannanylium;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCC[Sn+](CCC)CCC.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.3C3H7.2C2H4O2.2Sn/c3*1-2-4-6-5-3-1;3*1-3-2;2*1-2(3)4;;/h3*1-5H;3*1,3H2,2H3;2*1H3,(H,3,4);;/q;;;;;;;;2*+1/p-2
InChIKeyNZCIZWCSPAPXHG-UHFFFAOYSA-L
XLogP3.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500716.10
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10225423
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CID 70463220
2-[2-(2-methoxyethoxy)ethoxy]acetate;triphenylstannanylium
CID 22450631
phenyltin(3+);propanoate
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heptanoate;triphenylsulfanium
CID 87067214
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
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CID 174753936
benzyltin(3+) triacetate
CID 161126164
(4-fluorophenyl)-diphenylsulfanium;propanoate
CID 159057475
(E)-3-(4-fluorophenyl)-2-methylprop-2-enoate;triphenylstannanylium
CID 71530301
butanoate;(4-iodophenyl)-diphenylsulfanium
CID 161461983

Frequently Asked Questions

What is the IUPAC name of triphenylstannanylium;tripropylstannanylium;diacetate?
The IUPAC name of triphenylstannanylium;tripropylstannanylium;diacetate (CID 158654614) is triphenylstannanylium;tripropylstannanylium;diacetate.
What is the SMILES notation for triphenylstannanylium;tripropylstannanylium;diacetate?
The canonical SMILES for triphenylstannanylium;tripropylstannanylium;diacetate is CC(=O)[O-].CC(=O)[O-].CCC[Sn+](CCC)CCC.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylstannanylium;tripropylstannanylium;diacetate?
The InChIKey is NZCIZWCSPAPXHG-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.3C3H7.2C2H4O2.2Sn/c3*1-2-4-6-5-3-1;3*1-3-2;2*1-2(3)4;;/h3*1-5H;3*1,3H2,2H3;2*1H3,(H,3,4);;/q;;;;;;;;2*+1/p-2.
What are the key properties of triphenylstannanylium;tripropylstannanylium;diacetate?
triphenylstannanylium;tripropylstannanylium;diacetate has a molecular weight of 716.10 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannanylium;tripropylstannanylium;diacetate is sourced from PubChem (CID 158654614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).