9-diazo-10-hexyloctadecane

C24H48N2 — CID 175369961

IUPAC9-diazo-10-hexyloctadecane
SMILESCCCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(26-25)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3
InChIKeyCLOCVJYCSXNFIN-UHFFFAOYSA-N
MW364.66 g/mol
LogP8.74
Rot. Bonds20

About 9-diazo-10-hexyloctadecane

9-diazo-10-hexyloctadecane (PubChem CID 175369961) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 9-diazo-10-hexyloctadecane.

Molecular Properties

Compound Name9-diazo-10-hexyloctadecane
PubChem CID175369961
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name9-diazo-10-hexyloctadecane
SMILESCCCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H48N2/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(26-25)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3
InChIKeyCLOCVJYCSXNFIN-UHFFFAOYSA-N
XLogP8.74
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.74
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 9-diazo-10-hexyloctadecane?
The IUPAC name of 9-diazo-10-hexyloctadecane (CID 175369961) is 9-diazo-10-hexyloctadecane.
What is the SMILES notation for 9-diazo-10-hexyloctadecane?
The canonical SMILES for 9-diazo-10-hexyloctadecane is CCCCCCCCC(=[N+]=[N-])C(CCCCCC)CCCCCCCC.
What is the InChIKey of 9-diazo-10-hexyloctadecane?
The InChIKey is CLOCVJYCSXNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(26-25)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 9-diazo-10-hexyloctadecane?
9-diazo-10-hexyloctadecane has a molecular weight of 364.66 g/mol, XLogP of 8.74, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-diazo-10-hexyloctadecane is sourced from PubChem (CID 175369961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).