molybdenum(4+);tetrakis(octanoate)

C32H60MoO8 — CID 14048363

IUPACmolybdenum(4+);tetrakis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C8H16O2.Mo/c4*1-2-3-4-5-6-7-8(9)10;/h4*2-7H2,1H3,(H,9,10);/q;;;;+4/p-4
InChIKeyQKOWWTNERDILGA-UHFFFAOYSA-J
MW668.76 g/mol
LogP4.38
Rot. Bonds24

About molybdenum(4+);tetrakis(octanoate)

molybdenum(4+);tetrakis(octanoate) (PubChem CID 14048363) has the molecular formula C32H60MoO8 and a molecular weight of 668.76 g/mol. Its IUPAC name is molybdenum(4+);tetrakis(octanoate).

Molecular Properties

Compound Namemolybdenum(4+);tetrakis(octanoate)
PubChem CID14048363
Molecular FormulaC32H60MoO8
Molecular Weight668.76 g/mol
Exact Mass670.33
IUPAC Namemolybdenum(4+);tetrakis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mo+4]
InChIInChI=1S/4C8H16O2.Mo/c4*1-2-3-4-5-6-7-8(9)10;/h4*2-7H2,1H3,(H,9,10);/q;;;;+4/p-4
InChIKeyQKOWWTNERDILGA-UHFFFAOYSA-J
XLogP4.38
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.76
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);tetrakis(octanoate)?
The IUPAC name of molybdenum(4+);tetrakis(octanoate) (CID 14048363) is molybdenum(4+);tetrakis(octanoate).
What is the SMILES notation for molybdenum(4+);tetrakis(octanoate)?
The canonical SMILES for molybdenum(4+);tetrakis(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mo+4].
What is the InChIKey of molybdenum(4+);tetrakis(octanoate)?
The InChIKey is QKOWWTNERDILGA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H16O2.Mo/c4*1-2-3-4-5-6-7-8(9)10;/h4*2-7H2,1H3,(H,9,10);/q;;;;+4/p-4.
What are the key properties of molybdenum(4+);tetrakis(octanoate)?
molybdenum(4+);tetrakis(octanoate) has a molecular weight of 668.76 g/mol, XLogP of 4.38, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);tetrakis(octanoate) is sourced from PubChem (CID 14048363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).