8-diazo-9-hexylhexadecane

C22H44N2 — CID 175217887

IUPAC8-diazo-9-hexylhexadecane
SMILESCCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCC
InChIInChI=1S/C22H44N2/c1-4-7-10-13-16-19-21(18-15-12-9-6-3)22(24-23)20-17-14-11-8-5-2/h21H,4-20H2,1-3H3
InChIKeyFMXVNWHRNJJYGR-UHFFFAOYSA-N
MW336.61 g/mol
LogP7.96
Rot. Bonds18

About 8-diazo-9-hexylhexadecane

8-diazo-9-hexylhexadecane (PubChem CID 175217887) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 8-diazo-9-hexylhexadecane.

Molecular Properties

Compound Name8-diazo-9-hexylhexadecane
PubChem CID175217887
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name8-diazo-9-hexylhexadecane
SMILESCCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCC
InChIInChI=1S/C22H44N2/c1-4-7-10-13-16-19-21(18-15-12-9-6-3)22(24-23)20-17-14-11-8-5-2/h21H,4-20H2,1-3H3
InChIKeyFMXVNWHRNJJYGR-UHFFFAOYSA-N
XLogP7.96
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 57.96
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 8-diazo-9-hexylhexadecane?
The IUPAC name of 8-diazo-9-hexylhexadecane (CID 175217887) is 8-diazo-9-hexylhexadecane.
What is the SMILES notation for 8-diazo-9-hexylhexadecane?
The canonical SMILES for 8-diazo-9-hexylhexadecane is CCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCC.
What is the InChIKey of 8-diazo-9-hexylhexadecane?
The InChIKey is FMXVNWHRNJJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-4-7-10-13-16-19-21(18-15-12-9-6-3)22(24-23)20-17-14-11-8-5-2/h21H,4-20H2,1-3H3.
What are the key properties of 8-diazo-9-hexylhexadecane?
8-diazo-9-hexylhexadecane has a molecular weight of 336.61 g/mol, XLogP of 7.96, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diazo-9-hexylhexadecane is sourced from PubChem (CID 175217887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).