tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane

C28H42OSeSn — CID 134904966

IUPACtributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\COCc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H15OSe.3C4H9.Sn/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16;3*1-3-4-2;/h1-11H,12,14H2;3*1,3-4H2,2H3;
InChIKeyACVCLWJFYHFGBP-UHFFFAOYSA-N
MW592.31 g/mol
LogP7.51
Rot. Bonds16

About tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane

tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane (PubChem CID 134904966) has the molecular formula C28H42OSeSn and a molecular weight of 592.31 g/mol. Its IUPAC name is tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane
PubChem CID134904966
Molecular FormulaC28H42OSeSn
Molecular Weight592.31 g/mol
Exact Mass594.14
IUPAC Nametributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\COCc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H15OSe.3C4H9.Sn/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16;3*1-3-4-2;/h1-11H,12,14H2;3*1,3-4H2,2H3;
InChIKeyACVCLWJFYHFGBP-UHFFFAOYSA-N
XLogP7.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.31
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
CID 10697509
tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
CID 177417219
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
CID 10671765
[(E)-3-methylpent-2-enoxy]methylbenzene
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3-bromobut-2-enoxymethylbenzene
CID 85427694
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526
butyl-tris(phenylmethoxy)stannane
CID 16688200
butoxymethylbenzene;ethane
CID 145341806
[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene
CID 11586810

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane (CID 134904966) is tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C\COCc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane?
The InChIKey is ACVCLWJFYHFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15OSe.3C4H9.Sn/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16;3*1-3-4-2;/h1-11H,12,14H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane?
tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane has a molecular weight of 592.31 g/mol, XLogP of 7.51, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane is sourced from PubChem (CID 134904966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).