propane-1,2-diolate;bis(tetraethylazanium)

C19H46N2O2 — CID 165390158

IUPACpropane-1,2-diolate;bis(tetraethylazanium)
SMILESCC([O-])C[O-].CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC
InChIInChI=1S/2C8H20N.C3H6O2/c2*1-5-9(6-2,7-3)8-4;1-3(5)2-4/h2*5-8H2,1-4H3;3H,2H2,1H3/q2*+1;-2
InChIKeyNBJJQAHEHNBIAE-UHFFFAOYSA-N
MW334.59 g/mol
LogP1.86
Rot. Bonds9

About propane-1,2-diolate;bis(tetraethylazanium)

propane-1,2-diolate;bis(tetraethylazanium) (PubChem CID 165390158) has the molecular formula C19H46N2O2 and a molecular weight of 334.59 g/mol. Its IUPAC name is propane-1,2-diolate;bis(tetraethylazanium).

Molecular Properties

Compound Namepropane-1,2-diolate;bis(tetraethylazanium)
PubChem CID165390158
Molecular FormulaC19H46N2O2
Molecular Weight334.59 g/mol
Exact Mass334.36
IUPAC Namepropane-1,2-diolate;bis(tetraethylazanium)
SMILESCC([O-])C[O-].CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC
InChIInChI=1S/2C8H20N.C3H6O2/c2*1-5-9(6-2,7-3)8-4;1-3(5)2-4/h2*5-8H2,1-4H3;3H,2H2,1H3/q2*+1;-2
InChIKeyNBJJQAHEHNBIAE-UHFFFAOYSA-N
XLogP1.86
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diolate;bis(tetraethylazanium)?
The IUPAC name of propane-1,2-diolate;bis(tetraethylazanium) (CID 165390158) is propane-1,2-diolate;bis(tetraethylazanium).
What is the SMILES notation for propane-1,2-diolate;bis(tetraethylazanium)?
The canonical SMILES for propane-1,2-diolate;bis(tetraethylazanium) is CC([O-])C[O-].CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.
What is the InChIKey of propane-1,2-diolate;bis(tetraethylazanium)?
The InChIKey is NBJJQAHEHNBIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H20N.C3H6O2/c2*1-5-9(6-2,7-3)8-4;1-3(5)2-4/h2*5-8H2,1-4H3;3H,2H2,1H3/q2*+1;-2.
What are the key properties of propane-1,2-diolate;bis(tetraethylazanium)?
propane-1,2-diolate;bis(tetraethylazanium) has a molecular weight of 334.59 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diolate;bis(tetraethylazanium) is sourced from PubChem (CID 165390158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).