4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene

C20H24N2O2 — CID 121286154

IUPAC4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
SMILESCCCCc1ccc(N=O)c(-c2cc(CCCC)ccc2N=O)c1
InChIInChI=1S/C20H24N2O2/c1-3-5-7-15-9-11-19(21-23)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22-24/h9-14H,3-8H2,1-2H3
InChIKeyGSMWJMCFQCADJE-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.83
Rot. Bonds9

About 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene

4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene (PubChem CID 121286154) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene.

Molecular Properties

Compound Name4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
PubChem CID121286154
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
SMILESCCCCc1ccc(N=O)c(-c2cc(CCCC)ccc2N=O)c1
InChIInChI=1S/C20H24N2O2/c1-3-5-7-15-9-11-19(21-23)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22-24/h9-14H,3-8H2,1-2H3
InChIKeyGSMWJMCFQCADJE-UHFFFAOYSA-N
XLogP6.83
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-nitroso-5-propylphenyl)-4-propylphenol
CID 135266794
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
1-(5-butyl-2-nitrosophenyl)-4-methyltetrazol-5-one
CID 134228535
5-butyl-N,N-dimethyl-2-(methylideneamino)aniline
CID 146533269
2-butyl-6-propylnaphthalene
CID 58232616
5-butyl-1-methylindole-2,3-dione
CID 154104491
(2-butylfluoren-9-ylidene)hydrazine
CID 162724220
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
2-butyl-6-propylnaphthalene;propane
CID 123540121
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene?
The IUPAC name of 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene (CID 121286154) is 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene.
What is the SMILES notation for 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene?
The canonical SMILES for 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene is CCCCc1ccc(N=O)c(-c2cc(CCCC)ccc2N=O)c1.
What is the InChIKey of 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene?
The InChIKey is GSMWJMCFQCADJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-7-15-9-11-19(21-23)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22-24/h9-14H,3-8H2,1-2H3.
What are the key properties of 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene?
4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene has a molecular weight of 324.42 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene is sourced from PubChem (CID 121286154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).