2-diazobicyclo[8.8.8]hexacosane

C26H48N2 — CID 140598013

IUPAC2-diazobicyclo[8.8.8]hexacosane
SMILES[N-]=[N+]=C1CCCCCCCC2CCCCCCCCC1CCCCCCCC2
InChIInChI=1S/C26H48N2/c27-28-26-23-17-11-5-8-14-20-24-18-12-6-1-3-9-15-21-25(26)22-16-10-4-2-7-13-19-24/h24-25H,1-23H2
InChIKeyLDQAOTZZHHCKTD-UHFFFAOYSA-N
MW388.68 g/mol
LogP8.89
Rot. Bonds

About 2-diazobicyclo[8.8.8]hexacosane

2-diazobicyclo[8.8.8]hexacosane (PubChem CID 140598013) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 2-diazobicyclo[8.8.8]hexacosane.

Molecular Properties

Compound Name2-diazobicyclo[8.8.8]hexacosane
PubChem CID140598013
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name2-diazobicyclo[8.8.8]hexacosane
SMILES[N-]=[N+]=C1CCCCCCCC2CCCCCCCCC1CCCCCCCC2
InChIInChI=1S/C26H48N2/c27-28-26-23-17-11-5-8-14-20-24-18-12-6-1-3-9-15-21-25(26)22-16-10-4-2-7-13-19-24/h24-25H,1-23H2
InChIKeyLDQAOTZZHHCKTD-UHFFFAOYSA-N
XLogP8.89
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2-diazobicyclo[8.8.8]hexacosane?
The IUPAC name of 2-diazobicyclo[8.8.8]hexacosane (CID 140598013) is 2-diazobicyclo[8.8.8]hexacosane.
What is the SMILES notation for 2-diazobicyclo[8.8.8]hexacosane?
The canonical SMILES for 2-diazobicyclo[8.8.8]hexacosane is [N-]=[N+]=C1CCCCCCCC2CCCCCCCCC1CCCCCCCC2.
What is the InChIKey of 2-diazobicyclo[8.8.8]hexacosane?
The InChIKey is LDQAOTZZHHCKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2/c27-28-26-23-17-11-5-8-14-20-24-18-12-6-1-3-9-15-21-25(26)22-16-10-4-2-7-13-19-24/h24-25H,1-23H2.
What are the key properties of 2-diazobicyclo[8.8.8]hexacosane?
2-diazobicyclo[8.8.8]hexacosane has a molecular weight of 388.68 g/mol, XLogP of 8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazobicyclo[8.8.8]hexacosane is sourced from PubChem (CID 140598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).