HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-[p-(2-Cyanoethyl)phenyl]pentylcyclohexane

HCID 20186263
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CCCC1CCCCC1)c1ccc(CCC#N)cc1
InChIKey
NZUKBICQTPORIV-UHFFFAOYSA-N
Molecular formula
C20H29N
Average molar mass
283.5 g/mol

Names & identifiers

Preferred name
4-[p-(2-Cyanoethyl)phenyl]pentylcyclohexane
IUPAC
3-[4-(5-cyclohexylpentan-2-yl)phenyl]propanenitrile

Names & synonyms

SCHEMBL10818549NZUKBICQTPORIV-UHFFFAOYSA-N4-[p-(2-cyanoethyl)phenyl]pentylcyclohexane

Database identifiers

PubChem CID
20186263

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
312

Related reactions

2 records
New reaction record
HRID 95892 reaction equation
HRID 95892As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2309287 reaction equation
HRID 2309287As productuspto-grants-1987_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes