Summary

IMPPAT Phytochemical identifier: IMPHY012111

Phytochemical name: Cyclododecane

Synonymous chemical names:
cyclododecane

External chemical identifiers:
CID:9268, ChEMBL:CHEMBL3185808, ZINC:ZINC000054962163, FDASRS:97CN13ZD83, SureChEMBL:SCHEMBL122689, MolPort-003-910-794

---

Chemical structure information

SMILES:
C1CCCCCCCCCCC1

InChI:
InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2

InChIKey:
DDTBPAQBQHZRDW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC%12

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: -0.02

---

Chemical structure download