4-(2-ethylhexoxy)benzenediazonium

C14H21N2O+ — CID 101390113

IUPAC4-(2-ethylhexoxy)benzenediazonium
SMILESCCCCC(CC)COc1ccc([N+]#N)cc1
InChIInChI=1S/C14H21N2O/c1-3-5-6-12(4-2)11-17-14-9-7-13(16-15)8-10-14/h7-10,12H,3-6,11H2,1-2H3/q+1
InChIKeyPPFYHHQAQRKOLN-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.77
Rot. Bonds7

About 4-(2-ethylhexoxy)benzenediazonium

4-(2-ethylhexoxy)benzenediazonium (PubChem CID 101390113) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)benzenediazonium.

Molecular Properties

Compound Name4-(2-ethylhexoxy)benzenediazonium
PubChem CID101390113
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC Name4-(2-ethylhexoxy)benzenediazonium
SMILESCCCCC(CC)COc1ccc([N+]#N)cc1
InChIInChI=1S/C14H21N2O/c1-3-5-6-12(4-2)11-17-14-9-7-13(16-15)8-10-14/h7-10,12H,3-6,11H2,1-2H3/q+1
InChIKeyPPFYHHQAQRKOLN-UHFFFAOYSA-N
XLogP4.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
2-bis[4-(2-ethylhexoxy)phenyl]boranyloxyethanamine
CID 162495650
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)benzenediazonium?
The IUPAC name of 4-(2-ethylhexoxy)benzenediazonium (CID 101390113) is 4-(2-ethylhexoxy)benzenediazonium.
What is the SMILES notation for 4-(2-ethylhexoxy)benzenediazonium?
The canonical SMILES for 4-(2-ethylhexoxy)benzenediazonium is CCCCC(CC)COc1ccc([N+]#N)cc1.
What is the InChIKey of 4-(2-ethylhexoxy)benzenediazonium?
The InChIKey is PPFYHHQAQRKOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N2O/c1-3-5-6-12(4-2)11-17-14-9-7-13(16-15)8-10-14/h7-10,12H,3-6,11H2,1-2H3/q+1.
What are the key properties of 4-(2-ethylhexoxy)benzenediazonium?
4-(2-ethylhexoxy)benzenediazonium has a molecular weight of 233.34 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)benzenediazonium is sourced from PubChem (CID 101390113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).