tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane

C22H38Sn — CID 134905017

IUPACtributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C\c1ccc(C)cc1)(CCCC)CCCC
InChIInChI=1S/C10H11.3C4H9.Sn/c1-3-4-10-7-5-9(2)6-8-10;3*1-3-4-2;/h3-8H,1H2,2H3;3*1,3-4H2,2H3;/b4-3-;;;;
InChIKeyYHXVUJRICWSWII-PHSMJEINSA-N
MW421.26 g/mol
LogP7.86
Rot. Bonds12

About tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane

tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane (PubChem CID 134905017) has the molecular formula C22H38Sn and a molecular weight of 421.26 g/mol. Its IUPAC name is tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane
PubChem CID134905017
Molecular FormulaC22H38Sn
Molecular Weight421.26 g/mol
Exact Mass422.20
IUPAC Nametributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C\c1ccc(C)cc1)(CCCC)CCCC
InChIInChI=1S/C10H11.3C4H9.Sn/c1-3-4-10-7-5-9(2)6-8-10;3*1-3-4-2;/h3-8H,1H2,2H3;3*1,3-4H2,2H3;/b4-3-;;;;
InChIKeyYHXVUJRICWSWII-PHSMJEINSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.26
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane (CID 134905017) is tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane is CCCC[Sn](C/C=C\c1ccc(C)cc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane?
The InChIKey is YHXVUJRICWSWII-PHSMJEINSA-N. The full InChI is InChI=1S/C10H11.3C4H9.Sn/c1-3-4-10-7-5-9(2)6-8-10;3*1-3-4-2;/h3-8H,1H2,2H3;3*1,3-4H2,2H3;/b4-3-;;;;.
What are the key properties of tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane?
tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane has a molecular weight of 421.26 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-(4-methylphenyl)prop-2-enyl]stannane is sourced from PubChem (CID 134905017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).