Summary

IMPPAT Phytochemical identifier: IMPHY017649

Phytochemical name: Cyclopentane, 1,2,3-trimethyl-, (1alpha,2alpha,3beta)-

Synonymous chemical names:
1alpha,2alpha,3β-trimethylcyclopentane

External chemical identifiers:
CID:6432144

---

Chemical structure information

SMILES:
CC1[C@@H](C)CC[C@@H]1C

InChI:
InChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7-/m0/s1

InChIKey:
VCWNHOPGKQCXIQ-BQBZGAKWSA-N

DeepSMILES:
CC[C@@H]C)CC[C@@H]5C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

---

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: 1.188

---

Chemical structure download