di(octan-2-yl)diazene

C16H34N2 — CID 139695075

IUPACdi(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)CCCCCC
InChIInChI=1S/C16H34N2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/b18-17+
InChIKeySQZQLWNDYDDSRK-ISLYRVAYSA-N
MW254.46 g/mol
LogP6.16
Rot. Bonds12

About di(octan-2-yl)diazene

di(octan-2-yl)diazene (PubChem CID 139695075) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is di(octan-2-yl)diazene.

Molecular Properties

Compound Namedi(octan-2-yl)diazene
PubChem CID139695075
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namedi(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)CCCCCC
InChIInChI=1S/C16H34N2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/b18-17+
InChIKeySQZQLWNDYDDSRK-ISLYRVAYSA-N
XLogP6.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
(2S)-2-azidononane
CID 102115708
(2R)-2-azidohexadecane
CID 174670947
hexan-2-yl(pentyl)diazene
CID 141139949
(2S)-2-isocyanatooctane
CID 7018274
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605

Frequently Asked Questions

What is the IUPAC name of di(octan-2-yl)diazene?
The IUPAC name of di(octan-2-yl)diazene (CID 139695075) is di(octan-2-yl)diazene.
What is the SMILES notation for di(octan-2-yl)diazene?
The canonical SMILES for di(octan-2-yl)diazene is CCCCCCC(C)/N=N/C(C)CCCCCC.
What is the InChIKey of di(octan-2-yl)diazene?
The InChIKey is SQZQLWNDYDDSRK-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/b18-17+.
What are the key properties of di(octan-2-yl)diazene?
di(octan-2-yl)diazene has a molecular weight of 254.46 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(octan-2-yl)diazene is sourced from PubChem (CID 139695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).