tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane

C24H51BSn — CID 134904028

IUPACtributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
SMILESCCCC/C(=C(/CC)B(CC)CC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H24B.3C4H9.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;3*1-3-4-2;/h5-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyWISGBDNUOQPVHG-UHFFFAOYSA-N
MW469.20 g/mol
LogP9.35
Rot. Bonds17

About tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane

tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane (PubChem CID 134904028) has the molecular formula C24H51BSn and a molecular weight of 469.20 g/mol. Its IUPAC name is tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
PubChem CID134904028
Molecular FormulaC24H51BSn
Molecular Weight469.20 g/mol
Exact Mass470.31
IUPAC Nametributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
SMILESCCCC/C(=C(/CC)B(CC)CC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H24B.3C4H9.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;3*1-3-4-2;/h5-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyWISGBDNUOQPVHG-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
CID 13227106
[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
CID 14917780
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane
CID 134906366
[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
CID 134978845
1,1-Dimethyl-3,4,5-tri(propan-2-yl)-2,6-dipropyl-1,4-stannaborinine
CID 21598093
2,6-Dibutyl-1,1-dimethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 21598095
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-dihexylboranyldodec-5-en-5-yl]stannane
CID 10326759
tributyl-[(E)-6-dioctylboranyltetradec-5-en-5-yl]stannane
CID 10485044
tributyl-[(E)-10-dioctylboranyloctadec-9-en-9-yl]stannane
CID 10485375

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane?
The IUPAC name of tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane (CID 134904028) is tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane?
The canonical SMILES for tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane is CCCC/C(=C(/CC)B(CC)CC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane?
The InChIKey is WISGBDNUOQPVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B.3C4H9.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;3*1-3-4-2;/h5-10H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane?
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane has a molecular weight of 469.20 g/mol, XLogP of 9.35, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane is sourced from PubChem (CID 134904028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).