Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018095

Phytochemical name: Pentylcyclopropane

Synonymous chemical names:
Pentylcyclopropane

External chemical identifiers:
CID:CID_75640

---

Chemical structure information

SMILES:
CCCCCC1CC1

InChI:
InChI=1S/C8H16/c1-2-3-4-5-8-6-7-8/h8H,2-7H2,1H3

InChIKey:
SUBUEDOPXXGMKP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC3

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

---

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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.68

---

Chemical structure download