dioxido(dioxo)molybdenum;bis(tetrapropylazanium)

C24H56MoN2O4 — CID 21245546

IUPACdioxido(dioxo)molybdenum;bis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Mo](=O)([O-])[O-]
InChIInChI=1S/2C12H28N.Mo.4O/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h2*5-12H2,1-4H3;;;;;/q2*+1;;;;2*-1
InChIKeyQDJCEAWNEZFTEB-UHFFFAOYSA-N
MW532.66 g/mol
LogP4.27
Rot. Bonds16

About dioxido(dioxo)molybdenum;bis(tetrapropylazanium)

dioxido(dioxo)molybdenum;bis(tetrapropylazanium) (PubChem CID 21245546) has the molecular formula C24H56MoN2O4 and a molecular weight of 532.66 g/mol. Its IUPAC name is dioxido(dioxo)molybdenum;bis(tetrapropylazanium).

Molecular Properties

Compound Namedioxido(dioxo)molybdenum;bis(tetrapropylazanium)
PubChem CID21245546
Molecular FormulaC24H56MoN2O4
Molecular Weight532.66 g/mol
Exact Mass534.33
IUPAC Namedioxido(dioxo)molybdenum;bis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Mo](=O)([O-])[O-]
InChIInChI=1S/2C12H28N.Mo.4O/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h2*5-12H2,1-4H3;;;;;/q2*+1;;;;2*-1
InChIKeyQDJCEAWNEZFTEB-UHFFFAOYSA-N
XLogP4.27
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.66
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

antimony(3+);tetrapropylazanium
CID 18954503
dioxido(oxo)silane;bis(tetrapropylazanium)
CID 87503534
tetrapropylazanium;trihydroxy(oxido)silane
CID 173094822
tetrapropylazanium periodate
CID 3020483
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
tetrapropylazanium;bromide;hydrobromide
CID 87689277
azanium;tetrapropylazanium;diacetate
CID 161363764
bis(triethyl(propyl)azanium);sulfate
CID 175166373
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
dihexadecyl(dipropyl)azanium nitrate
CID 21414138
potassium;sodium;tetramethylazanium;tetrapropylazanium;tetrahydroxide
CID 156636442

Frequently Asked Questions

What is the IUPAC name of dioxido(dioxo)molybdenum;bis(tetrapropylazanium)?
The IUPAC name of dioxido(dioxo)molybdenum;bis(tetrapropylazanium) (CID 21245546) is dioxido(dioxo)molybdenum;bis(tetrapropylazanium).
What is the SMILES notation for dioxido(dioxo)molybdenum;bis(tetrapropylazanium)?
The canonical SMILES for dioxido(dioxo)molybdenum;bis(tetrapropylazanium) is CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Mo](=O)([O-])[O-].
What is the InChIKey of dioxido(dioxo)molybdenum;bis(tetrapropylazanium)?
The InChIKey is QDJCEAWNEZFTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28N.Mo.4O/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h2*5-12H2,1-4H3;;;;;/q2*+1;;;;2*-1.
What are the key properties of dioxido(dioxo)molybdenum;bis(tetrapropylazanium)?
dioxido(dioxo)molybdenum;bis(tetrapropylazanium) has a molecular weight of 532.66 g/mol, XLogP of 4.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(dioxo)molybdenum;bis(tetrapropylazanium) is sourced from PubChem (CID 21245546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).