molybdenum;tris(propan-2-olate);trichloride

C9H21Cl3MoO3-6 — CID 22112169

IUPACmolybdenum;tris(propan-2-olate);trichloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Mo]
InChIInChI=1S/3C3H7O.3ClH.Mo/c3*1-3(2)4;;;;/h3*3H,1-2H3;3*1H;/q3*-1;;;;/p-3
InChIKeyIMBJGLSNIHCNND-UHFFFAOYSA-K
MW379.56 g/mol
LogP-9.73
Rot. Bonds

About molybdenum;tris(propan-2-olate);trichloride

molybdenum;tris(propan-2-olate);trichloride (PubChem CID 22112169) has the molecular formula C9H21Cl3MoO3-6 and a molecular weight of 379.56 g/mol. Its IUPAC name is molybdenum;tris(propan-2-olate);trichloride.

Molecular Properties

Compound Namemolybdenum;tris(propan-2-olate);trichloride
PubChem CID22112169
Molecular FormulaC9H21Cl3MoO3-6
Molecular Weight379.56 g/mol
Exact Mass379.96
IUPAC Namemolybdenum;tris(propan-2-olate);trichloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Mo]
InChIInChI=1S/3C3H7O.3ClH.Mo/c3*1-3(2)4;;;;/h3*3H,1-2H3;3*1H;/q3*-1;;;;/p-3
InChIKeyIMBJGLSNIHCNND-UHFFFAOYSA-K
XLogP-9.73
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 5-9.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molybdenum;tris(propan-2-olate);trichloride?
The IUPAC name of molybdenum;tris(propan-2-olate);trichloride (CID 22112169) is molybdenum;tris(propan-2-olate);trichloride.
What is the SMILES notation for molybdenum;tris(propan-2-olate);trichloride?
The canonical SMILES for molybdenum;tris(propan-2-olate);trichloride is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Mo].
What is the InChIKey of molybdenum;tris(propan-2-olate);trichloride?
The InChIKey is IMBJGLSNIHCNND-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7O.3ClH.Mo/c3*1-3(2)4;;;;/h3*3H,1-2H3;3*1H;/q3*-1;;;;/p-3.
What are the key properties of molybdenum;tris(propan-2-olate);trichloride?
molybdenum;tris(propan-2-olate);trichloride has a molecular weight of 379.56 g/mol, XLogP of -9.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;tris(propan-2-olate);trichloride is sourced from PubChem (CID 22112169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).