tris(butan-1-olate);tin(4+);acetate

C14H30O5Sn — CID 170841293

IUPACtris(butan-1-olate);tin(4+);acetate
SMILESCC(=O)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sn+4]
InChIInChI=1S/3C4H9O.C2H4O2.Sn/c3*1-2-3-4-5;1-2(3)4;/h3*2-4H2,1H3;1H3,(H,3,4);/q3*-1;;+4/p-1
InChIKeyFUXKIJFJAMNVFA-UHFFFAOYSA-M
MW397.10 g/mol
LogP-1.18
Rot. Bonds6

About tris(butan-1-olate);tin(4+);acetate

tris(butan-1-olate);tin(4+);acetate (PubChem CID 170841293) has the molecular formula C14H30O5Sn and a molecular weight of 397.10 g/mol. Its IUPAC name is tris(butan-1-olate);tin(4+);acetate.

Molecular Properties

Compound Nametris(butan-1-olate);tin(4+);acetate
PubChem CID170841293
Molecular FormulaC14H30O5Sn
Molecular Weight397.10 g/mol
Exact Mass398.11
IUPAC Nametris(butan-1-olate);tin(4+);acetate
SMILESCC(=O)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sn+4]
InChIInChI=1S/3C4H9O.C2H4O2.Sn/c3*1-2-3-4-5;1-2(3)4;/h3*2-4H2,1H3;1H3,(H,3,4);/q3*-1;;+4/p-1
InChIKeyFUXKIJFJAMNVFA-UHFFFAOYSA-M
XLogP-1.18
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.10
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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magnesium;butan-1-olate;hydrogen carbonate
CID 159486437
zinc;hexane;diacetate
CID 174575867
2-acetyloxyacetate;butan-1-olate;zirconium(2+)
CID 175825436
bis(butan-1-olate);bis(3-oxopentanoate);titanium(4+)
CID 157297958
butylphosphanium diacetate
CID 172711940
butylphosphanium acetate
CID 18551477
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tris(butan-1-olate);niobium(3+)
CID 161059025

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);tin(4+);acetate?
The IUPAC name of tris(butan-1-olate);tin(4+);acetate (CID 170841293) is tris(butan-1-olate);tin(4+);acetate.
What is the SMILES notation for tris(butan-1-olate);tin(4+);acetate?
The canonical SMILES for tris(butan-1-olate);tin(4+);acetate is CC(=O)[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sn+4].
What is the InChIKey of tris(butan-1-olate);tin(4+);acetate?
The InChIKey is FUXKIJFJAMNVFA-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9O.C2H4O2.Sn/c3*1-2-3-4-5;1-2(3)4;/h3*2-4H2,1H3;1H3,(H,3,4);/q3*-1;;+4/p-1.
What are the key properties of tris(butan-1-olate);tin(4+);acetate?
tris(butan-1-olate);tin(4+);acetate has a molecular weight of 397.10 g/mol, XLogP of -1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);tin(4+);acetate is sourced from PubChem (CID 170841293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).