tris(butan-1-olate);yttrium(3+)

C12H27O3Y — CID 11536856

IUPACtris(butan-1-olate);yttrium(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Y+3]
InChIInChI=1S/3C4H9O.Y/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyPCOPFSXTYFFNIG-UHFFFAOYSA-N
MW308.25 g/mol
LogP0.44
Rot. Bonds6

About tris(butan-1-olate);yttrium(3+)

tris(butan-1-olate);yttrium(3+) (PubChem CID 11536856) has the molecular formula C12H27O3Y and a molecular weight of 308.25 g/mol. Its IUPAC name is tris(butan-1-olate);yttrium(3+).

Molecular Properties

Compound Nametris(butan-1-olate);yttrium(3+)
PubChem CID11536856
Molecular FormulaC12H27O3Y
Molecular Weight308.25 g/mol
Exact Mass308.10
IUPAC Nametris(butan-1-olate);yttrium(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Y+3]
InChIInChI=1S/3C4H9O.Y/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyPCOPFSXTYFFNIG-UHFFFAOYSA-N
XLogP0.44
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22242269
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tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
trilithium;tris(butan-1-olate)
CID 155673085
butan-1-olate;rubidium(1+)
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CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
butan-1-olate;hydride;zirconium(4+)
CID 22376038
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622
barium(2+);hexakis(butan-1-olate);titanium(4+)
CID 159496938

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);yttrium(3+)?
The IUPAC name of tris(butan-1-olate);yttrium(3+) (CID 11536856) is tris(butan-1-olate);yttrium(3+).
What is the SMILES notation for tris(butan-1-olate);yttrium(3+)?
The canonical SMILES for tris(butan-1-olate);yttrium(3+) is CCCC[O-].CCCC[O-].CCCC[O-].[Y+3].
What is the InChIKey of tris(butan-1-olate);yttrium(3+)?
The InChIKey is PCOPFSXTYFFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Y/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of tris(butan-1-olate);yttrium(3+)?
tris(butan-1-olate);yttrium(3+) has a molecular weight of 308.25 g/mol, XLogP of 0.44, 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);yttrium(3+) is sourced from PubChem (CID 11536856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).