tributylstannanylium phenoxide

C18H32OSn — CID 22131367

IUPACtributylstannanylium phenoxide
SMILESCCCC[Sn+](CCCC)CCCC.[O-]c1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWSFFSRSHQHHVHH-UHFFFAOYSA-M
MW383.16 g/mol
LogP5.64
Rot. Bonds9

About tributylstannanylium phenoxide

tributylstannanylium phenoxide (PubChem CID 22131367) has the molecular formula C18H32OSn and a molecular weight of 383.16 g/mol. Its IUPAC name is tributylstannanylium phenoxide.

Molecular Properties

Compound Nametributylstannanylium phenoxide
PubChem CID22131367
Molecular FormulaC18H32OSn
Molecular Weight383.16 g/mol
Exact Mass384.15
IUPAC Nametributylstannanylium phenoxide
SMILESCCCC[Sn+](CCCC)CCCC.[O-]c1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWSFFSRSHQHHVHH-UHFFFAOYSA-M
XLogP5.64
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.16
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenolate Sodium
CID 4445035
Didecyl phenyl phosphite
CID 14741
Hydron phenoxide
CID 20488062
O-Phenylhydroxylamine
CID 2794249
Trimethylphenoxysilane
CID 73720
Potassium phenoxide
CID 23670670
Phenoxyarsonous acid
CID 44395086
Triethylphenoxystannane
CID 16682829
Lithium phenoxide
CID 11815295
Sodium Phenoxide Trihydrate
CID 23681143
Ammonium phenolate
CID 80075
Phosphorous acid, phenyl ditetradecyl ester
CID 20512072

Frequently Asked Questions

What is the IUPAC name of tributylstannanylium phenoxide?
The IUPAC name of tributylstannanylium phenoxide (CID 22131367) is tributylstannanylium phenoxide.
What is the SMILES notation for tributylstannanylium phenoxide?
The canonical SMILES for tributylstannanylium phenoxide is CCCC[Sn+](CCCC)CCCC.[O-]c1ccccc1.
What is the InChIKey of tributylstannanylium phenoxide?
The InChIKey is WSFFSRSHQHHVHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannanylium phenoxide?
tributylstannanylium phenoxide has a molecular weight of 383.16 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannanylium phenoxide is sourced from PubChem (CID 22131367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).