tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane

C27H46O2SeSn — CID 177417219

IUPACtributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CCOC1CCCCO1)[Se]c1ccccc1
InChIInChI=1S/C15H19O2Se.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-3,7-9,15H,4-6,10-12H2;3*1,3-4H2,2H3;
InChIKeyUWFJVFVXMXHRJC-UHFFFAOYSA-N
MW600.33 g/mol
LogP7.22
Rot. Bonds16

About tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane

tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane (PubChem CID 177417219) has the molecular formula C27H46O2SeSn and a molecular weight of 600.33 g/mol. Its IUPAC name is tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
PubChem CID177417219
Molecular FormulaC27H46O2SeSn
Molecular Weight600.33 g/mol
Exact Mass602.17
IUPAC Nametributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CCOC1CCCCO1)[Se]c1ccccc1
InChIInChI=1S/C15H19O2Se.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-3,7-9,15H,4-6,10-12H2;3*1,3-4H2,2H3;
InChIKeyUWFJVFVXMXHRJC-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.33
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15649194
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-octacosoxyoxane
CID 11214102
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
6-(oxan-2-yloxy)-2-phenylselanylhexanal
CID 15725666
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
methyl 11-(oxan-2-yloxy)-3-tributylstannylundec-2-enoate
CID 78005541
tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane
CID 10606018
2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane
CID 70565788
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[(E)-hept-2-enoxy]oxane
CID 12861157

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane (CID 177417219) is tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C\CCOC1CCCCO1)[Se]c1ccccc1.
What is the InChIKey of tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane?
The InChIKey is UWFJVFVXMXHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O2Se.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-3,7-9,15H,4-6,10-12H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane?
tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane has a molecular weight of 600.33 g/mol, XLogP of 7.22, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane is sourced from PubChem (CID 177417219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).