Summary

IMPPAT Phytochemical identifier: IMPHY015976

Phytochemical name: 1,1,2-Trimethyl-1,2-dihydronaphthalene

Synonymous chemical names:
trimehyldihydronaphthalene, trimethyl dihydronaphthalene, trimethyldihydronaphthalene *

External chemical identifiers:
CID:71407484, SureChEMBL:SCHEMBL18394586

---

Chemical structure information

SMILES:
CC1C=Cc2c(C1(C)C)cccc2

InChI:
InChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3

InChIKey:
LNTKBBRCAIFQLG-UHFFFAOYSA-N

DeepSMILES:
CCC=CccC6C)C))cccc6

Functional groups:
cC=CC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.15

---

Chemical structure download