tris(butan-1-olate);tert-butyltin(3+)

C16H36O3Sn — CID 175739917

IUPACtris(butan-1-olate);tert-butyltin(3+)
SMILESCC(C)(C)[Sn+3].CCCC[O-].CCCC[O-].CCCC[O-]
InChIInChI=1S/3C4H9O.C4H9.Sn/c3*1-2-3-4-5;1-4(2)3;/h3*2-4H2,1H3;1-3H3;/q3*-1;;+3
InChIKeySRTUXYLWUBJZJB-UHFFFAOYSA-N
MW395.17 g/mol
LogP1.81
Rot. Bonds6

About tris(butan-1-olate);tert-butyltin(3+)

tris(butan-1-olate);tert-butyltin(3+) (PubChem CID 175739917) has the molecular formula C16H36O3Sn and a molecular weight of 395.17 g/mol. Its IUPAC name is tris(butan-1-olate);tert-butyltin(3+).

Molecular Properties

Compound Nametris(butan-1-olate);tert-butyltin(3+)
PubChem CID175739917
Molecular FormulaC16H36O3Sn
Molecular Weight395.17 g/mol
Exact Mass396.17
IUPAC Nametris(butan-1-olate);tert-butyltin(3+)
SMILESCC(C)(C)[Sn+3].CCCC[O-].CCCC[O-].CCCC[O-]
InChIInChI=1S/3C4H9O.C4H9.Sn/c3*1-2-3-4-5;1-4(2)3;/h3*2-4H2,1H3;1-3H3;/q3*-1;;+3
InChIKeySRTUXYLWUBJZJB-UHFFFAOYSA-N
XLogP1.81
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tetrakis(butan-1-olate);vanadium(4+)
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trilithium;tris(butan-1-olate)
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tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
tris(butan-1-olate);ethyltin(3+);tin(4+)
CID 160574028
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
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strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);tert-butyltin(3+)?
The IUPAC name of tris(butan-1-olate);tert-butyltin(3+) (CID 175739917) is tris(butan-1-olate);tert-butyltin(3+).
What is the SMILES notation for tris(butan-1-olate);tert-butyltin(3+)?
The canonical SMILES for tris(butan-1-olate);tert-butyltin(3+) is CC(C)(C)[Sn+3].CCCC[O-].CCCC[O-].CCCC[O-].
What is the InChIKey of tris(butan-1-olate);tert-butyltin(3+)?
The InChIKey is SRTUXYLWUBJZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.C4H9.Sn/c3*1-2-3-4-5;1-4(2)3;/h3*2-4H2,1H3;1-3H3;/q3*-1;;+3.
What are the key properties of tris(butan-1-olate);tert-butyltin(3+)?
tris(butan-1-olate);tert-butyltin(3+) has a molecular weight of 395.17 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);tert-butyltin(3+) is sourced from PubChem (CID 175739917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).