molybdenum;hexakis(propan-2-olate)

C18H42Mo2O6-6 — CID 138991740

IUPACmolybdenum;hexakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo].[Mo]
InChIInChI=1S/6C3H7O.2Mo/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;;
InChIKeyWELHQNVYYAEXCF-UHFFFAOYSA-N
MW546.41 g/mol
LogP-1.47
Rot. Bonds

About molybdenum;hexakis(propan-2-olate)

molybdenum;hexakis(propan-2-olate) (PubChem CID 138991740) has the molecular formula C18H42Mo2O6-6 and a molecular weight of 546.41 g/mol. Its IUPAC name is molybdenum;hexakis(propan-2-olate).

Molecular Properties

Compound Namemolybdenum;hexakis(propan-2-olate)
PubChem CID138991740
Molecular FormulaC18H42Mo2O6-6
Molecular Weight546.41 g/mol
Exact Mass550.11
IUPAC Namemolybdenum;hexakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo].[Mo]
InChIInChI=1S/6C3H7O.2Mo/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;;
InChIKeyWELHQNVYYAEXCF-UHFFFAOYSA-N
XLogP-1.47
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.41
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 173069963
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potassium;sodium;bis(propan-2-olate)
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propan-2-olate;titanium(4+);triiodide
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Frequently Asked Questions

What is the IUPAC name of molybdenum;hexakis(propan-2-olate)?
The IUPAC name of molybdenum;hexakis(propan-2-olate) (CID 138991740) is molybdenum;hexakis(propan-2-olate).
What is the SMILES notation for molybdenum;hexakis(propan-2-olate)?
The canonical SMILES for molybdenum;hexakis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo].[Mo].
What is the InChIKey of molybdenum;hexakis(propan-2-olate)?
The InChIKey is WELHQNVYYAEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H7O.2Mo/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;;.
What are the key properties of molybdenum;hexakis(propan-2-olate)?
molybdenum;hexakis(propan-2-olate) has a molecular weight of 546.41 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;hexakis(propan-2-olate) is sourced from PubChem (CID 138991740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).