tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane

C36H75BSn — CID 10326759

IUPACtributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane
SMILESCCCCCCB(CCCCCC)/C(CCCCCC)=C(/CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C24H48B.3C4H9.Sn/c1-5-9-13-17-21-24(20-16-12-8-4)25(22-18-14-10-6-2)23-19-15-11-7-3;3*1-3-4-2;/h5-19,21-23H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyCUOARTDHKSROOS-UHFFFAOYSA-N
MW637.52 g/mol
LogP14.03
Rot. Bonds29

About tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane

tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane (PubChem CID 10326759) has the molecular formula C36H75BSn and a molecular weight of 637.52 g/mol. Its IUPAC name is tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane
PubChem CID10326759
Molecular FormulaC36H75BSn
Molecular Weight637.52 g/mol
Exact Mass638.50
IUPAC Nametributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane
SMILESCCCCCCB(CCCCCC)/C(CCCCCC)=C(/CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C24H48B.3C4H9.Sn/c1-5-9-13-17-21-24(20-16-12-8-4)25(22-18-14-10-6-2)23-19-15-11-7-3;3*1-3-4-2;/h5-19,21-23H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyCUOARTDHKSROOS-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.52
LogP ≤ 514.03
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

[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
CID 14917780
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
tributyl-[(E)-6-diheptylboranyltridec-5-en-5-yl]stannane
CID 9987046
tributyl-[(E)-8-diheptylboranylheptadec-8-en-9-yl]stannane
CID 9987538
tributyl-[(E)-7-dihexylboranylhexadec-7-en-8-yl]stannane
CID 10009884
tributyl-[(E)-6-dioctylboranyltetradec-5-en-5-yl]stannane
CID 10485044
tributyl-[(E)-10-dioctylboranyloctadec-9-en-9-yl]stannane
CID 10485375
tributyl-[(E)-7-diheptylboranyltetradec-6-en-6-yl]stannane
CID 10652252
tributyl-[(E)-3-diethylboranyldec-3-en-4-yl]stannane
CID 10791429
tributyl-[(E)-7-dihexylboranyltridec-6-en-6-yl]stannane
CID 10841965
tributyl-[(E)-8-dihexylboranyltetradec-7-en-7-yl]stannane
CID 11764974
bis[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylstannane
CID 21598065

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane?
The IUPAC name of tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane (CID 10326759) is tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane.
What is the SMILES notation for tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane?
The canonical SMILES for tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane is CCCCCCB(CCCCCC)/C(CCCCCC)=C(/CCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane?
The InChIKey is CUOARTDHKSROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48B.3C4H9.Sn/c1-5-9-13-17-21-24(20-16-12-8-4)25(22-18-14-10-6-2)23-19-15-11-7-3;3*1-3-4-2;/h5-19,21-23H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane?
tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane has a molecular weight of 637.52 g/mol, XLogP of 14.03, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane is sourced from PubChem (CID 10326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).