oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))

C39H91O14Y5 — CID 131845266

IUPACoxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-2].[Y+3].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/13C3H7O.O.5Y/c13*1-3(2)4;;;;;;/h13*3H,1-2H3;;;;;;/q13*-1;-2;5*+3
InChIKeyPQRMCUWDUQGIIO-UHFFFAOYSA-N
MW1228.67 g/mol
LogP-3.32
Rot. Bonds

About oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))

oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)) (PubChem CID 131845266) has the molecular formula C39H91O14Y5 and a molecular weight of 1228.67 g/mol. Its IUPAC name is oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)).

Molecular Properties

Compound Nameoxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))
PubChem CID131845266
Molecular FormulaC39H91O14Y5
Molecular Weight1228.67 g/mol
Exact Mass1228.17
IUPAC Nameoxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-2].[Y+3].[Y+3].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/13C3H7O.O.5Y/c13*1-3(2)4;;;;;;/h13*3H,1-2H3;;;;;;/q13*-1;-2;5*+3
InChIKeyPQRMCUWDUQGIIO-UHFFFAOYSA-N
XLogP-3.32
TPSA328.28 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.67
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

pentakis(europium(3+));oxygen(2-);tridecakis(propan-2-olate)
CID 139133025
erbium(3+);tris(propan-2-olate)
CID 2734042
pentakis(propan-2-olate);tungsten
CID 173344200
bis(propan-2-olate);samarium
CID 162338231
hafnium(4+);bis(propan-2-olate)
CID 22242333
hafnium;bis(propan-2-olate)
CID 157404523
manganese(3+);tris(propan-2-olate)
CID 91971223
molybdenum;hexakis(propan-2-olate)
CID 138991740
propan-2-ol;tris(propan-2-olate);yttrium(3+)
CID 172780762
CID 173069963
CID 173069963
sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
potassium;sodium;bis(propan-2-olate)
CID 141167841

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))?
The IUPAC name of oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)) (CID 131845266) is oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)).
What is the SMILES notation for oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))?
The canonical SMILES for oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-2].[Y+3].[Y+3].[Y+3].[Y+3].[Y+3].
What is the InChIKey of oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))?
The InChIKey is PQRMCUWDUQGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/13C3H7O.O.5Y/c13*1-3(2)4;;;;;;/h13*3H,1-2H3;;;;;;/q13*-1;-2;5*+3.
What are the key properties of oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))?
oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)) has a molecular weight of 1228.67 g/mol, XLogP of -3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+)) is sourced from PubChem (CID 131845266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).