propane-1,2-diol;tetraethylazanium;hydroxide

C11H29NO3 — CID 175392137

IUPACpropane-1,2-diol;tetraethylazanium;hydroxide
SMILESCC(O)CO.CC[N+](CC)(CC)CC.[OH-]
InChIInChI=1S/C8H20N.C3H8O2.H2O/c1-5-9(6-2,7-3)8-4;1-3(5)2-4;/h5-8H2,1-4H3;3-5H,2H2,1H3;1H2/q+1;;/p-1
InChIKeyJODJXJMFYQNEGW-UHFFFAOYSA-M
MW223.36 g/mol
LogP1.07
Rot. Bonds5

About propane-1,2-diol;tetraethylazanium;hydroxide

propane-1,2-diol;tetraethylazanium;hydroxide (PubChem CID 175392137) has the molecular formula C11H29NO3 and a molecular weight of 223.36 g/mol. Its IUPAC name is propane-1,2-diol;tetraethylazanium;hydroxide.

Molecular Properties

Compound Namepropane-1,2-diol;tetraethylazanium;hydroxide
PubChem CID175392137
Molecular FormulaC11H29NO3
Molecular Weight223.36 g/mol
Exact Mass223.21
IUPAC Namepropane-1,2-diol;tetraethylazanium;hydroxide
SMILESCC(O)CO.CC[N+](CC)(CC)CC.[OH-]
InChIInChI=1S/C8H20N.C3H8O2.H2O/c1-5-9(6-2,7-3)8-4;1-3(5)2-4;/h5-8H2,1-4H3;3-5H,2H2,1H3;1H2/q+1;;/p-1
InChIKeyJODJXJMFYQNEGW-UHFFFAOYSA-M
XLogP1.07
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2-diol
CID 23506506
methanol;tetraethylazanium;hydroxide
CID 159654840
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
tetraethylazanium hydroxide
CID 6509
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
pentane;propane-1,2-diol
CID 88731847
propane-1,2-diol;1-propylsulfanylpropane
CID 174932498
methoxymethane;propane-1,2-diol
CID 23435252

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;tetraethylazanium;hydroxide?
The IUPAC name of propane-1,2-diol;tetraethylazanium;hydroxide (CID 175392137) is propane-1,2-diol;tetraethylazanium;hydroxide.
What is the SMILES notation for propane-1,2-diol;tetraethylazanium;hydroxide?
The canonical SMILES for propane-1,2-diol;tetraethylazanium;hydroxide is CC(O)CO.CC[N+](CC)(CC)CC.[OH-].
What is the InChIKey of propane-1,2-diol;tetraethylazanium;hydroxide?
The InChIKey is JODJXJMFYQNEGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C3H8O2.H2O/c1-5-9(6-2,7-3)8-4;1-3(5)2-4;/h5-8H2,1-4H3;3-5H,2H2,1H3;1H2/q+1;;/p-1.
What are the key properties of propane-1,2-diol;tetraethylazanium;hydroxide?
propane-1,2-diol;tetraethylazanium;hydroxide has a molecular weight of 223.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;tetraethylazanium;hydroxide is sourced from PubChem (CID 175392137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).