octoxy(phenyl)diazene

C14H22N2O — CID 19023895

IUPACoctoxy(phenyl)diazene
SMILESCCCCCCCCO/N=N/c1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-6-10-13-17-16-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b16-15+
InChIKeyNZKMUVYPMAOXCH-FOCLMDBBSA-N
MW234.34 g/mol
LogP5.06
Rot. Bonds9

About octoxy(phenyl)diazene

octoxy(phenyl)diazene (PubChem CID 19023895) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is octoxy(phenyl)diazene.

Molecular Properties

Compound Nameoctoxy(phenyl)diazene
PubChem CID19023895
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameoctoxy(phenyl)diazene
SMILESCCCCCCCCO/N=N/c1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-6-10-13-17-16-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b16-15+
InChIKeyNZKMUVYPMAOXCH-FOCLMDBBSA-N
XLogP5.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl-(4-undecoxyphenyl)diazene
CID 162717560
N'-pentoxy-N-phenylmethanediimine
CID 174274444
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
(3-chloro-4-decoxyphenyl)-phenyldiazene
CID 101410584
pentoxybenzene;undecane
CID 174778179
bis(4-heptoxyphenyl)diazene
CID 13087198
decyl 4-(4-phenyldiazenylanilino)-4-sulfanylidenebutanoate
CID 88810597
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
dihexadecoxy(phenyl)silane
CID 173048581

Frequently Asked Questions

What is the IUPAC name of octoxy(phenyl)diazene?
The IUPAC name of octoxy(phenyl)diazene (CID 19023895) is octoxy(phenyl)diazene.
What is the SMILES notation for octoxy(phenyl)diazene?
The canonical SMILES for octoxy(phenyl)diazene is CCCCCCCCO/N=N/c1ccccc1.
What is the InChIKey of octoxy(phenyl)diazene?
The InChIKey is NZKMUVYPMAOXCH-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-6-10-13-17-16-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/b16-15+.
What are the key properties of octoxy(phenyl)diazene?
octoxy(phenyl)diazene has a molecular weight of 234.34 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy(phenyl)diazene is sourced from PubChem (CID 19023895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).