Summary

IMPPAT Phytochemical identifier: IMPHY015442

Phytochemical name: 7-Methyloctan-4-yl acetate

Synonymous chemical names:
7-methyl-4-octyl acetate

External chemical identifiers:
CID:536398

---

Chemical structure information

SMILES:
CCCC(OC(=O)C)CCC(C)C

InChI:
InChI=1S/C11H22O2/c1-5-6-11(13-10(4)12)8-7-9(2)3/h9,11H,5-8H2,1-4H3

InChIKey:
RCGDVGLQQHGPAU-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)C)))CCCC)C

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.639

---

Chemical structure download