Summary

IMPPAT Phytochemical identifier: IMPHY016172

Phytochemical name: 1,2,4a,5,6,8a-Hexahydronaphthalene

Synonymous chemical names:
1,2,4a,5,6,8a-hexahydronaphthalene

External chemical identifiers:
CID:22035261, SureChEMBL:SCHEMBL5962534

---

Chemical structure information

SMILES:
C1=CC2C(CC1)C=CCC2

InChI:
InChI=1S/C10H14/c1-2-6-10-8-4-3-7-9(10)5-1/h1,4-5,8-10H,2-3,6-7H2

InChIKey:
OVTOUIPTRRPHCA-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC6))C=CCC6

Functional groups:
CC=CC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

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: 1.147

---

Chemical structure download