tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane

C25H42Sn — CID 177456786

IUPACtributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
SMILESC/C=C/C/C(C)=C(\c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H15.3C4H9.Sn/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;3*1-3-4-2;/h3-7,9-10H,8H2,1-2H3;3*1,3-4H2,2H3;/b4-3+,12-11?;;;;
InChIKeyDZNUSGDPLKMJLL-ZBDITARFSA-N
MW461.32 g/mol
LogP8.81
Rot. Bonds13

About tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane

tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane (PubChem CID 177456786) has the molecular formula C25H42Sn and a molecular weight of 461.32 g/mol. Its IUPAC name is tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane.

Molecular Properties

Compound Nametributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
PubChem CID177456786
Molecular FormulaC25H42Sn
Molecular Weight461.32 g/mol
Exact Mass462.23
IUPAC Nametributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
SMILESC/C=C/C/C(C)=C(\c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H15.3C4H9.Sn/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;3*1-3-4-2;/h3-7,9-10H,8H2,1-2H3;3*1,3-4H2,2H3;/b4-3+,12-11?;;;;
InChIKeyDZNUSGDPLKMJLL-ZBDITARFSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
ethyl (2E)-2-[phenyl(tributylstannyl)methylidene]pent-4-enoate
CID 11318098
triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane
CID 102471462
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
[(E)-hept-2-en-3-yl]benzene
CID 14568345
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
tributyl-[(E)-2-phenylprop-1-enoxy]stannane
CID 16704522
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
CID 170459763

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane?
The IUPAC name of tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane (CID 177456786) is tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane.
What is the SMILES notation for tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane?
The canonical SMILES for tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane is C/C=C/C/C(C)=C(\c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane?
The InChIKey is DZNUSGDPLKMJLL-ZBDITARFSA-N. The full InChI is InChI=1S/C13H15.3C4H9.Sn/c1-3-4-8-12(2)11-13-9-6-5-7-10-13;3*1-3-4-2;/h3-7,9-10H,8H2,1-2H3;3*1,3-4H2,2H3;/b4-3+,12-11?;;;;.
What are the key properties of tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane?
tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane has a molecular weight of 461.32 g/mol, XLogP of 8.81, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane is sourced from PubChem (CID 177456786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).