1-diazooctadecane

C18H36N2 — CID 12689187

IUPAC1-diazooctadecane
SMILESCCCCCCCCCCCCCCCCCC=[N+]=[N-]
InChIInChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h18H,2-17H2,1H3
InChIKeyXRURVCAUXPVNRF-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.55
Rot. Bonds16

About 1-diazooctadecane

1-diazooctadecane (PubChem CID 12689187) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-diazooctadecane.

Molecular Properties

Compound Name1-diazooctadecane
PubChem CID12689187
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-diazooctadecane
SMILESCCCCCCCCCCCCCCCCCC=[N+]=[N-]
InChIInChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h18H,2-17H2,1H3
InChIKeyXRURVCAUXPVNRF-UHFFFAOYSA-N
XLogP6.55
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazooctadecane?
The IUPAC name of 1-diazooctadecane (CID 12689187) is 1-diazooctadecane.
What is the SMILES notation for 1-diazooctadecane?
The canonical SMILES for 1-diazooctadecane is CCCCCCCCCCCCCCCCCC=[N+]=[N-].
What is the InChIKey of 1-diazooctadecane?
The InChIKey is XRURVCAUXPVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h18H,2-17H2,1H3.
What are the key properties of 1-diazooctadecane?
1-diazooctadecane has a molecular weight of 280.50 g/mol, XLogP of 6.55, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazooctadecane is sourced from PubChem (CID 12689187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).