Summary

IMPPAT Phytochemical identifier: IMPHY017524

Phytochemical name: 4a-Methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

Synonymous chemical names:
naphthalene,1,2,3,4,4a,5,6,7-octahydro-4a-methyl-

External chemical identifiers:
CID:584965, SureChEMBL:SCHEMBL15525612

---

Chemical structure information

SMILES:
CC12CCCCC2=CCCC1

InChI:
InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h6H,2-5,7-9H2,1H3

InChIKey:
GCLZXEJWFDSXJZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6=CCCC%10

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: 1.529

---

Chemical structure download