tris(propan-2-olate);samarium(3+)

C9H21O3Sm — CID 2734138

IUPACtris(propan-2-olate);samarium(3+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3]
InChIInChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyHJCRVWSKQNDSPZ-UHFFFAOYSA-N
MW327.62 g/mol
LogP-0.73
Rot. Bonds

About tris(propan-2-olate);samarium(3+)

tris(propan-2-olate);samarium(3+) (PubChem CID 2734138) has the molecular formula C9H21O3Sm and a molecular weight of 327.62 g/mol. Its IUPAC name is tris(propan-2-olate);samarium(3+).

Molecular Properties

Compound Nametris(propan-2-olate);samarium(3+)
PubChem CID2734138
Molecular FormulaC9H21O3Sm
Molecular Weight327.62 g/mol
Exact Mass329.07
IUPAC Nametris(propan-2-olate);samarium(3+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3]
InChIInChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyHJCRVWSKQNDSPZ-UHFFFAOYSA-N
XLogP-0.73
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.62
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(propan-2-olate);samarium(3+)?
The IUPAC name of tris(propan-2-olate);samarium(3+) (CID 2734138) is tris(propan-2-olate);samarium(3+).
What is the SMILES notation for tris(propan-2-olate);samarium(3+)?
The canonical SMILES for tris(propan-2-olate);samarium(3+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3].
What is the InChIKey of tris(propan-2-olate);samarium(3+)?
The InChIKey is HJCRVWSKQNDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of tris(propan-2-olate);samarium(3+)?
tris(propan-2-olate);samarium(3+) has a molecular weight of 327.62 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-olate);samarium(3+) is sourced from PubChem (CID 2734138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).