Summary

IMPPAT Phytochemical identifier: IMPHY017208

Phytochemical name: 3,5-Dimethylcyclohexanol

Synonymous chemical names:
3,5-dimethylcyclohexanol

External chemical identifiers:
CID:21584, ChEBI:88850, SureChEMBL:SCHEMBL961521, MolPort-003-926-168

---

Chemical structure information

SMILES:
CC1CC(C)CC(C1)O

InChI:
InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3

InChIKey:
WIYNOPYNRFPWNB-UHFFFAOYSA-N

DeepSMILES:
CCCCC)CCC6)O

Functional groups:
CO

---

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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 1.29

---

Chemical structure download