Summary

IMPPAT Phytochemical identifier: IMPHY017696

Phytochemical name: Bicyclohexyl

Synonymous chemical names:
cyclohexylcyclohexane

External chemical identifiers:
CID:7094, ChEMBL:CHEMBL1231413, ZINC:ZINC000001689826, FDASRS:Y77501141O, SureChEMBL:SCHEMBL60387, MolPort-003-926-449

---

Chemical structure information

SMILES:
C1CCC(CC1)C1CCCCC1

InChI:
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey:
WVIIMZNLDWSIRH-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6))CCCCCC6

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.277

---

Chemical structure download