dioxido(oxo)silane;bis(tetrapropylazanium)

C24H56N2O3Si — CID 87503534

IUPACdioxido(oxo)silane;bis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Si]([O-])[O-]
InChIInChI=1S/2C12H28N.O3Si/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;1-4(2)3/h2*5-12H2,1-4H3;/q2*+1;-2
InChIKeyKXRRAJVTIDDFDY-UHFFFAOYSA-N
MW448.81 g/mol
LogP4.01
Rot. Bonds16

About dioxido(oxo)silane;bis(tetrapropylazanium)

dioxido(oxo)silane;bis(tetrapropylazanium) (PubChem CID 87503534) has the molecular formula C24H56N2O3Si and a molecular weight of 448.81 g/mol. Its IUPAC name is dioxido(oxo)silane;bis(tetrapropylazanium).

Molecular Properties

Compound Namedioxido(oxo)silane;bis(tetrapropylazanium)
PubChem CID87503534
Molecular FormulaC24H56N2O3Si
Molecular Weight448.81 g/mol
Exact Mass448.41
IUPAC Namedioxido(oxo)silane;bis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Si]([O-])[O-]
InChIInChI=1S/2C12H28N.O3Si/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;1-4(2)3/h2*5-12H2,1-4H3;/q2*+1;-2
InChIKeyKXRRAJVTIDDFDY-UHFFFAOYSA-N
XLogP4.01
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

antimony(3+);tetrapropylazanium
CID 18954503
dioxido(dioxo)molybdenum;bis(tetrapropylazanium)
CID 21245546
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
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
tetrapropylazanium;trihydroxy(oxido)silane
CID 173094822
dihexadecyl(dipropyl)azanium nitrate
CID 21414138
bis(triethyl(propyl)azanium);sulfate
CID 175166373

Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)silane;bis(tetrapropylazanium)?
The IUPAC name of dioxido(oxo)silane;bis(tetrapropylazanium) (CID 87503534) is dioxido(oxo)silane;bis(tetrapropylazanium).
What is the SMILES notation for dioxido(oxo)silane;bis(tetrapropylazanium)?
The canonical SMILES for dioxido(oxo)silane;bis(tetrapropylazanium) is CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.O=[Si]([O-])[O-].
What is the InChIKey of dioxido(oxo)silane;bis(tetrapropylazanium)?
The InChIKey is KXRRAJVTIDDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28N.O3Si/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;1-4(2)3/h2*5-12H2,1-4H3;/q2*+1;-2.
What are the key properties of dioxido(oxo)silane;bis(tetrapropylazanium)?
dioxido(oxo)silane;bis(tetrapropylazanium) has a molecular weight of 448.81 g/mol, XLogP of 4.01, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)silane;bis(tetrapropylazanium) is sourced from PubChem (CID 87503534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).