Summary

IMPPAT Phytochemical identifier: IMPHY015137

Phytochemical name: 1,1-Dimethylcyclopentane

Synonymous chemical names:
1,1-dimethylcyclopentane

External chemical identifiers:
CID:15421, ZINC:ZINC000001699530, FDASRS:HEN90T1I69, SureChEMBL:SCHEMBL5279

---

Chemical structure information

SMILES:
CC1(C)CCCC1

InChI:
InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3

InChIKey:
QWHNJUXXYKPLQM-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCC5

---

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: 1.017

---

Chemical structure download