tributyl-[(E)-5-phenylpent-1-enyl]stannane

C23H40Sn — CID 12793749

IUPACtributyl-[(E)-5-phenylpent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CCCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C11H13.3C4H9.Sn/c1-2-3-5-8-11-9-6-4-7-10-11;3*1-3-4-2;/h1-2,4,6-7,9-10H,3,5,8H2;3*1,3-4H2,2H3;
InChIKeyKFBAASZGLQNDDO-UHFFFAOYSA-N
MW435.28 g/mol
LogP7.95
Rot. Bonds14

About tributyl-[(E)-5-phenylpent-1-enyl]stannane

tributyl-[(E)-5-phenylpent-1-enyl]stannane (PubChem CID 12793749) has the molecular formula C23H40Sn and a molecular weight of 435.28 g/mol. Its IUPAC name is tributyl-[(E)-5-phenylpent-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-5-phenylpent-1-enyl]stannane
PubChem CID12793749
Molecular FormulaC23H40Sn
Molecular Weight435.28 g/mol
Exact Mass436.22
IUPAC Nametributyl-[(E)-5-phenylpent-1-enyl]stannane
SMILESCCCC[Sn](/C=C/CCCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C11H13.3C4H9.Sn/c1-2-3-5-8-11-9-6-4-7-10-11;3*1-3-4-2;/h1-2,4,6-7,9-10H,3,5,8H2;3*1,3-4H2,2H3;
InChIKeyKFBAASZGLQNDDO-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
tributyl-[(Z)-4-phenylsulfanylbut-1-enyl]stannane
CID 15640193
[(Z)-heptadec-10-enyl]benzene
CID 175397737
nonadec-10-enylbenzene
CID 54264053
benzyl 5-tributylstannylpent-4-enoate
CID 68865303
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
CID 50993196
butylbenzene;propylbenzene
CID 142022125
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-5-phenylpent-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-5-phenylpent-1-enyl]stannane (CID 12793749) is tributyl-[(E)-5-phenylpent-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-5-phenylpent-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-5-phenylpent-1-enyl]stannane is CCCC[Sn](/C=C/CCCc1ccccc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-5-phenylpent-1-enyl]stannane?
The InChIKey is KFBAASZGLQNDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13.3C4H9.Sn/c1-2-3-5-8-11-9-6-4-7-10-11;3*1-3-4-2;/h1-2,4,6-7,9-10H,3,5,8H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-5-phenylpent-1-enyl]stannane?
tributyl-[(E)-5-phenylpent-1-enyl]stannane has a molecular weight of 435.28 g/mol, XLogP of 7.95, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-5-phenylpent-1-enyl]stannane is sourced from PubChem (CID 12793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).