Summary

IMPPAT Phytochemical identifier: IMPHY010371

Phytochemical name: 5-Dodecen-1-ol, acetate, (E)-

Synonymous chemical names:
5-dodecenyl-acetate

External chemical identifiers:
CID:5363381, ZINC:ZINC000059725075, FDASRS:M7W821NF8A, SureChEMBL:SCHEMBL1301648

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Chemical structure information

SMILES:
CCCCCC/C=C/CCCCOC(=O)C

InChI:
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8+

InChIKey:
FOEWNRTZASNZJY-CMDGGOBGSA-N

DeepSMILES:
CCCCCC/C=C/CCCCOC=O)C

Functional groups:
C/C=C/C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.119

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Chemical structure download