Summary

IMPPAT Phytochemical identifier: IMPHY017542

Phytochemical name: 1-Cyclohexene-1-ethanol, 2,6,6-trimethyl-

Synonymous chemical names:
1-cyclohexene-1-ethanol,2,6,6-trimethyl

External chemical identifiers:
CID:592706, SureChEMBL:SCHEMBL4304302

---

Chemical structure information

SMILES:
OCCC1=C(C)CCCC1(C)C

InChI:
InChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3

InChIKey:
JGJFZOVBBGQGOM-UHFFFAOYSA-N

DeepSMILES:
OCCC=CC)CCCC6C)C

Functional groups:
CC(C)=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-)

NP-Likeness score: 1.915

---

Chemical structure download