Summary

IMPPAT Phytochemical identifier: IMPHY009816

Phytochemical name: Methylcyclohexane

Synonymous chemical names:
methylcyclohexane

External chemical identifiers:
CID:7962, ChEBI:165745, ZINC:ZINC000001699964, FDASRS:H5WXT3SV31, SureChEMBL:SCHEMBL802, MolPort-001-785-800

---

Chemical structure information

SMILES:
CC1CCCCC1

InChI:
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey:
UAEPNZWRGJTJPN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: -0.025

---

Chemical structure download