tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)

C18H42O5Sn2 — CID 173456226

IUPACtetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].C[Sn+3].C[Sn+3].[O-2]
InChIInChI=1S/4C4H9O.2CH3.O.2Sn/c4*1-2-3-4-5;;;;;/h4*2-4H2,1H3;2*1H3;;;/q4*-1;;;-2;2*+3
InChIKeyUYBXUHSYQNTDEZ-UHFFFAOYSA-N
MW575.95 g/mol
LogP0.87
Rot. Bonds8

About tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)

tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-) (PubChem CID 173456226) has the molecular formula C18H42O5Sn2 and a molecular weight of 575.95 g/mol. Its IUPAC name is tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-).

Molecular Properties

Compound Nametetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)
PubChem CID173456226
Molecular FormulaC18H42O5Sn2
Molecular Weight575.95 g/mol
Exact Mass578.11
IUPAC Nametetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].C[Sn+3].C[Sn+3].[O-2]
InChIInChI=1S/4C4H9O.2CH3.O.2Sn/c4*1-2-3-4-5;;;;;/h4*2-4H2,1H3;2*1H3;;;/q4*-1;;;-2;2*+3
InChIKeyUYBXUHSYQNTDEZ-UHFFFAOYSA-N
XLogP0.87
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.95
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22242269
CID 22242269
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
trilithium;tris(butan-1-olate)
CID 155673085
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
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
butan-1-olate;hydride;zirconium(4+)
CID 22376038

Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)?
The IUPAC name of tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-) (CID 173456226) is tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-).
What is the SMILES notation for tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)?
The canonical SMILES for tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-) is CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].C[Sn+3].C[Sn+3].[O-2].
What is the InChIKey of tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)?
The InChIKey is UYBXUHSYQNTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9O.2CH3.O.2Sn/c4*1-2-3-4-5;;;;;/h4*2-4H2,1H3;2*1H3;;;/q4*-1;;;-2;2*+3.
What are the key properties of tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-)?
tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-) has a molecular weight of 575.95 g/mol, XLogP of 0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-1-olate);bis(methyltin(3+));oxygen(2-) is sourced from PubChem (CID 173456226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).