Summary

IMPPAT Phytochemical identifier: IMPHY006408

Phytochemical name: Octa-2,4-dienoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester

Synonymous chemical names:
2,7-dimethyl-octa-2,4-dienoic-acid

External chemical identifiers:
CID:5366636

---

Chemical structure information

SMILES:
COC(=O)/C=C/C=C/CC(O[Si](C(C)(C)C)(C)C)C

InChI:
InChI=1S/C15H28O3Si/c1-13(18-19(6,7)15(2,3)4)11-9-8-10-12-14(16)17-5/h8-10,12-13H,11H2,1-7H3/b9-8+,12-10+

InChIKey:
PNQBEJGOMBNVCW-CDKJVOIVSA-N

DeepSMILES:
COC=O)/C=C/C=C/CCO[Si]CC)C)C))C)C)))C

Functional groups:
C/C=C/C=C/C(=O)OC, CO[Si](C)(C)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP-Likeness score: 1.028

---

Chemical structure download