diazanium;octadecanoic acid;hydroxide

C18H45N2O3+ — CID 22561396

IUPACdiazanium;octadecanoic acid;hydroxide
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[NH4+].[NH4+].[OH-]
InChIInChI=1S/C18H36O2.2H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);2*1H3;1H2/p+1
InChIKeyRCQVPZBSPIQZON-UHFFFAOYSA-O
MW337.57 g/mol
LogP6.91
Rot. Bonds16

About diazanium;octadecanoic acid;hydroxide

diazanium;octadecanoic acid;hydroxide (PubChem CID 22561396) has the molecular formula C18H45N2O3+ and a molecular weight of 337.57 g/mol. Its IUPAC name is diazanium;octadecanoic acid;hydroxide.

Molecular Properties

Compound Namediazanium;octadecanoic acid;hydroxide
PubChem CID22561396
Molecular FormulaC18H45N2O3+
Molecular Weight337.57 g/mol
Exact Mass337.34
IUPAC Namediazanium;octadecanoic acid;hydroxide
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[NH4+].[NH4+].[OH-]
InChIInChI=1S/C18H36O2.2H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);2*1H3;1H2/p+1
InChIKeyRCQVPZBSPIQZON-UHFFFAOYSA-O
XLogP6.91
TPSA140.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.57
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of diazanium;octadecanoic acid;hydroxide?
The IUPAC name of diazanium;octadecanoic acid;hydroxide (CID 22561396) is diazanium;octadecanoic acid;hydroxide.
What is the SMILES notation for diazanium;octadecanoic acid;hydroxide?
The canonical SMILES for diazanium;octadecanoic acid;hydroxide is CCCCCCCCCCCCCCCCCC(=O)O.[NH4+].[NH4+].[OH-].
What is the InChIKey of diazanium;octadecanoic acid;hydroxide?
The InChIKey is RCQVPZBSPIQZON-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H36O2.2H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);2*1H3;1H2/p+1.
What are the key properties of diazanium;octadecanoic acid;hydroxide?
diazanium;octadecanoic acid;hydroxide has a molecular weight of 337.57 g/mol, XLogP of 6.91, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;octadecanoic acid;hydroxide is sourced from PubChem (CID 22561396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).