12-nitrosododecyldiazene

C12H25N3O — CID 122463248

IUPAC12-nitrosododecyldiazene
SMILES[H]/N=N/CCCCCCCCCCCCN=O
InChIInChI=1S/C12H25N3O/c13-14-11-9-7-5-3-1-2-4-6-8-10-12-15-16/h13H,1-12H2/b14-13+
InChIKeyMYCBLGLYNDLIFY-BUHFOSPRSA-N
MW227.35 g/mol
LogP4.68
Rot. Bonds13

About 12-nitrosododecyldiazene

12-nitrosododecyldiazene (PubChem CID 122463248) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 12-nitrosododecyldiazene.

Molecular Properties

Compound Name12-nitrosododecyldiazene
PubChem CID122463248
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name12-nitrosododecyldiazene
SMILES[H]/N=N/CCCCCCCCCCCCN=O
InChIInChI=1S/C12H25N3O/c13-14-11-9-7-5-3-1-2-4-6-8-10-12-15-16/h13H,1-12H2/b14-13+
InChIKeyMYCBLGLYNDLIFY-BUHFOSPRSA-N
XLogP4.68
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 12-nitrosododecyldiazene?
The IUPAC name of 12-nitrosododecyldiazene (CID 122463248) is 12-nitrosododecyldiazene.
What is the SMILES notation for 12-nitrosododecyldiazene?
The canonical SMILES for 12-nitrosododecyldiazene is [H]/N=N/CCCCCCCCCCCCN=O.
What is the InChIKey of 12-nitrosododecyldiazene?
The InChIKey is MYCBLGLYNDLIFY-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H25N3O/c13-14-11-9-7-5-3-1-2-4-6-8-10-12-15-16/h13H,1-12H2/b14-13+.
What are the key properties of 12-nitrosododecyldiazene?
12-nitrosododecyldiazene has a molecular weight of 227.35 g/mol, XLogP of 4.68, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-nitrosododecyldiazene is sourced from PubChem (CID 122463248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).