tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane

C27H40OSn — CID 25214897

IUPACtributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
SMILESCCCC[Sn](/C=C/c1ccc(OCc2ccccc2)cc1)(CCCC)CCCC
InChIInChI=1S/C15H13O.3C4H9.Sn/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14;3*1-3-4-2;/h1-11H,12H2;3*1,3-4H2,2H3;
InChIKeyHWTHLXLOPFTYSJ-UHFFFAOYSA-N
MW499.33 g/mol
LogP8.67
Rot. Bonds14

About tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane

tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane (PubChem CID 25214897) has the molecular formula C27H40OSn and a molecular weight of 499.33 g/mol. Its IUPAC name is tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
PubChem CID25214897
Molecular FormulaC27H40OSn
Molecular Weight499.33 g/mol
Exact Mass500.21
IUPAC Nametributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
SMILESCCCC[Sn](/C=C/c1ccc(OCc2ccccc2)cc1)(CCCC)CCCC
InChIInChI=1S/C15H13O.3C4H9.Sn/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14;3*1-3-4-2;/h1-11H,12H2;3*1,3-4H2,2H3;
InChIKeyHWTHLXLOPFTYSJ-UHFFFAOYSA-N
XLogP8.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.33
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-octadecyl-4-[2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium
CID 67810130
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CID 53395274
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224
1-phenylmethoxy-4-propoxybenzene
CID 10728874
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(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
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CID 139807758
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
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CID 139936599

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane (CID 25214897) is tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane is CCCC[Sn](/C=C/c1ccc(OCc2ccccc2)cc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane?
The InChIKey is HWTHLXLOPFTYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O.3C4H9.Sn/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14;3*1-3-4-2;/h1-11H,12H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane?
tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane has a molecular weight of 499.33 g/mol, XLogP of 8.67, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane is sourced from PubChem (CID 25214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).