Summary

IMPPAT Phytochemical identifier: IMPHY015332

Phytochemical name: 3-Ethyl-2,7-dimethyloctane

Synonymous chemical names:
3-ethyl-2,7-dimethyl octane

External chemical identifiers:
CID:537329, ChEBI:139062

---

Chemical structure information

SMILES:
CCC(C(C)C)CCCC(C)C

InChI:
InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3

InChIKey:
XEMFRSYZKNPRTA-UHFFFAOYSA-N

DeepSMILES:
CCCCC)C))CCCCC)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.179

---

Chemical structure download