Summary

IMPPAT Phytochemical identifier: IMPHY015587

Phytochemical name: Cyclohexane, 1-methyl-3-(1-methylethyl)-

Synonymous chemical names:
cyclohexane,1-methyl-3-(1-methylet)

External chemical identifiers:
CID:27938, SureChEMBL:SCHEMBL598214

---

Chemical structure information

SMILES:
CC1CCCC(C1)C(C)C

InChI:
InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3

InChIKey:
QRDCBPPMQOPHOU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)CC)C

---

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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.041

---

Chemical structure download