Summary

IMPPAT Phytochemical identifier: IMPHY016593

Phytochemical name: Cyclohexanepropanol, 2,2-dimethyl-6-methylene-

Synonymous chemical names:
cyclohexanepropanol-2,2dimethyl-6-methylene

External chemical identifiers:
CID:549684

---

Chemical structure information

SMILES:
OCCCC1C(=C)CCCC1(C)C

InChI:
InChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11,13H,1,4-9H2,2-3H3

InChIKey:
FKUIYDFLMWSYME-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=C)CCCC6C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

---

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-Likeness score: 3.198

---

Chemical structure download