octyl(diphenyl)stannanylium acetate

C22H30O2Sn — CID 67706318

IUPACoctyl(diphenyl)stannanylium acetate
SMILESCC(=O)[O-].CCCCCCCC[Sn+](c1ccccc1)c1ccccc1
InChIInChI=1S/C8H17.2C6H5.C2H4O2.Sn/c1-3-5-7-8-6-4-2;2*1-2-4-6-5-3-1;1-2(3)4;/h1,3-8H2,2H3;2*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyQQQYEQDTCFYYFJ-UHFFFAOYSA-M
MW445.19 g/mol
LogP3.41
Rot. Bonds9

About octyl(diphenyl)stannanylium acetate

octyl(diphenyl)stannanylium acetate (PubChem CID 67706318) has the molecular formula C22H30O2Sn and a molecular weight of 445.19 g/mol. Its IUPAC name is octyl(diphenyl)stannanylium acetate.

Molecular Properties

Compound Nameoctyl(diphenyl)stannanylium acetate
PubChem CID67706318
Molecular FormulaC22H30O2Sn
Molecular Weight445.19 g/mol
Exact Mass446.13
IUPAC Nameoctyl(diphenyl)stannanylium acetate
SMILESCC(=O)[O-].CCCCCCCC[Sn+](c1ccccc1)c1ccccc1
InChIInChI=1S/C8H17.2C6H5.C2H4O2.Sn/c1-3-5-7-8-6-4-2;2*1-2-4-6-5-3-1;1-2(3)4;/h1,3-8H2,2H3;2*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyQQQYEQDTCFYYFJ-UHFFFAOYSA-M
XLogP3.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.19
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

triphenylstannanylium;tripropylstannanylium;diacetate
CID 158654614
heptanoate;triphenylsulfanium
CID 87067214
decanoate;phenylmercury(1+)
CID 70457724
barium(2+);bis(7-phenyloctadecanoate)
CID 101320086
hexanoate;triphenylazanium
CID 139301475
phenylazanium;undecanoate
CID 139301589
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
2-phenyloctadecanoate
CID 22742145
decane;phthalic acid
CID 158763790
hexane;1-phenylethanone
CID 160797049
zinc;hexane;diacetate
CID 174575867
calcium bis(14-phenyloctadecanoate)
CID 101320116

Frequently Asked Questions

What is the IUPAC name of octyl(diphenyl)stannanylium acetate?
The IUPAC name of octyl(diphenyl)stannanylium acetate (CID 67706318) is octyl(diphenyl)stannanylium acetate.
What is the SMILES notation for octyl(diphenyl)stannanylium acetate?
The canonical SMILES for octyl(diphenyl)stannanylium acetate is CC(=O)[O-].CCCCCCCC[Sn+](c1ccccc1)c1ccccc1.
What is the InChIKey of octyl(diphenyl)stannanylium acetate?
The InChIKey is QQQYEQDTCFYYFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.2C6H5.C2H4O2.Sn/c1-3-5-7-8-6-4-2;2*1-2-4-6-5-3-1;1-2(3)4;/h1,3-8H2,2H3;2*1-5H;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of octyl(diphenyl)stannanylium acetate?
octyl(diphenyl)stannanylium acetate has a molecular weight of 445.19 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl(diphenyl)stannanylium acetate is sourced from PubChem (CID 67706318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).