dodecyl-hydroxyimino-oxidoazanium

C12H26N2O2 — CID 163791122

IUPACdodecyl-hydroxyimino-oxidoazanium
SMILESCCCCCCCCCCCC[N+]([O-])=NO
InChIInChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h15H,2-12H2,1H3
InChIKeyUXHUOXNONHDFNV-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.26
Rot. Bonds11

About dodecyl-hydroxyimino-oxidoazanium

dodecyl-hydroxyimino-oxidoazanium (PubChem CID 163791122) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is dodecyl-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Namedodecyl-hydroxyimino-oxidoazanium
PubChem CID163791122
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namedodecyl-hydroxyimino-oxidoazanium
SMILESCCCCCCCCCCCC[N+]([O-])=NO
InChIInChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h15H,2-12H2,1H3
InChIKeyUXHUOXNONHDFNV-UHFFFAOYSA-N
XLogP4.26
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dodecyl-hydroxyimino-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl-oxido-oxidoiminoazanium
CID 177438767
(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
CID 135494237
(Z)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
CID 135487868
N-dodecylmethanimine oxide
CID 174690762
nonan-2-ylimino-octyl-oxidoazanium
CID 57350805
1-nitrotriacontane
CID 154217337
(N'Z)-N'-heptylidene-N-[7-[(Z)-[(7E)-7-hydroxyiminoheptylidene]-oxidoazaniumyl]heptyl]heptane-1,7-diimine oxide
CID 177447848
methanol;undecane
CID 161373911
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of dodecyl-hydroxyimino-oxidoazanium?
The IUPAC name of dodecyl-hydroxyimino-oxidoazanium (CID 163791122) is dodecyl-hydroxyimino-oxidoazanium.
What is the SMILES notation for dodecyl-hydroxyimino-oxidoazanium?
The canonical SMILES for dodecyl-hydroxyimino-oxidoazanium is CCCCCCCCCCCC[N+]([O-])=NO.
What is the InChIKey of dodecyl-hydroxyimino-oxidoazanium?
The InChIKey is UXHUOXNONHDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h15H,2-12H2,1H3.
What are the key properties of dodecyl-hydroxyimino-oxidoazanium?
dodecyl-hydroxyimino-oxidoazanium has a molecular weight of 230.35 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-hydroxyimino-oxidoazanium is sourced from PubChem (CID 163791122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).