diazanium;ethanolate;nonanoate

C11H30N2O3 — CID 141132654

IUPACdiazanium;ethanolate;nonanoate
SMILESCCCCCCCCC(=O)[O-].CC[O-].[NH4+].[NH4+]
InChIInChI=1S/C9H18O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9(10)11;1-2-3;;/h2-8H2,1H3,(H,10,11);2H2,1H3;2*1H3/q;-1;;/p+1
InChIKeyCQGTVUKXYIREHN-UHFFFAOYSA-O
MW238.37 g/mol
LogP1.61
Rot. Bonds7

About diazanium;ethanolate;nonanoate

diazanium;ethanolate;nonanoate (PubChem CID 141132654) has the molecular formula C11H30N2O3 and a molecular weight of 238.37 g/mol. Its IUPAC name is diazanium;ethanolate;nonanoate.

Molecular Properties

Compound Namediazanium;ethanolate;nonanoate
PubChem CID141132654
Molecular FormulaC11H30N2O3
Molecular Weight238.37 g/mol
Exact Mass238.23
IUPAC Namediazanium;ethanolate;nonanoate
SMILESCCCCCCCCC(=O)[O-].CC[O-].[NH4+].[NH4+]
InChIInChI=1S/C9H18O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9(10)11;1-2-3;;/h2-8H2,1H3,(H,10,11);2H2,1H3;2*1H3/q;-1;;/p+1
InChIKeyCQGTVUKXYIREHN-UHFFFAOYSA-O
XLogP1.61
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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octadecanoate
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CID 22065418
dimagnesium;octadecanoate
CID 19105820
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Frequently Asked Questions

What is the IUPAC name of diazanium;ethanolate;nonanoate?
The IUPAC name of diazanium;ethanolate;nonanoate (CID 141132654) is diazanium;ethanolate;nonanoate.
What is the SMILES notation for diazanium;ethanolate;nonanoate?
The canonical SMILES for diazanium;ethanolate;nonanoate is CCCCCCCCC(=O)[O-].CC[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;ethanolate;nonanoate?
The InChIKey is CQGTVUKXYIREHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18O2.C2H5O.2H3N/c1-2-3-4-5-6-7-8-9(10)11;1-2-3;;/h2-8H2,1H3,(H,10,11);2H2,1H3;2*1H3/q;-1;;/p+1.
What are the key properties of diazanium;ethanolate;nonanoate?
diazanium;ethanolate;nonanoate has a molecular weight of 238.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethanolate;nonanoate is sourced from PubChem (CID 141132654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).