tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane

C25H44SeSn — CID 15314212

IUPACtributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
SMILESCCCCC/C=C(\[Se]c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17Se.3C4H9.Sn/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;3*1-3-4-2;/h6-11H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyZXDPXULCCQLRQU-UHFFFAOYSA-N
MW542.30 g/mol
LogP7.87
Rot. Bonds16

About tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane

tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane (PubChem CID 15314212) has the molecular formula C25H44SeSn and a molecular weight of 542.30 g/mol. Its IUPAC name is tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
PubChem CID15314212
Molecular FormulaC25H44SeSn
Molecular Weight542.30 g/mol
Exact Mass544.16
IUPAC Nametributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
SMILESCCCCC/C=C(\[Se]c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17Se.3C4H9.Sn/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;3*1-3-4-2;/h6-11H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyZXDPXULCCQLRQU-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.30
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(Z)-3-phenylmethoxy-1-phenylselanylprop-1-enyl]stannane
CID 134904966
tributyl-[(Z)-4-(oxan-2-yloxy)-1-phenylselanylbut-1-enyl]stannane
CID 177417219
[(E)-non-3-en-3-yl]selanylbenzene
CID 102123205
[(Z)-dodec-5-en-5-yl]selanylbenzene
CID 134921010
[(Z)-1-phenylselanyloct-2-en-2-yl]selanylbenzene
CID 54763336
(E)-3-phenylselanylnon-3-en-2-ol
CID 177482201
tributyl-[(Z)-3-methoxy-1-(4-methylphenyl)selanylprop-1-enyl]stannane
CID 10697509
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
CID 177407305
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
CID 11337041
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
CID 177466862
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane (CID 15314212) is tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane is CCCCC/C=C(\[Se]c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane?
The InChIKey is ZXDPXULCCQLRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Se.3C4H9.Sn/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;3*1-3-4-2;/h6-11H,2-5H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane?
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane has a molecular weight of 542.30 g/mol, XLogP of 7.87, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane is sourced from PubChem (CID 15314212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).