Summary

IMPPAT Phytochemical identifier: IMPHY016710

Phytochemical name: Isopropyl dodecanoate

Synonymous chemical names:
isopropyl dodecanoate, isopropyl laurate

External chemical identifiers:
CID:25068, ChEBI:89676, ZINC:ZINC000002023796, FDASRS:U0JQ94LABM, SureChEMBL:SCHEMBL44513, MolPort-006-119-404

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OC(C)C

InChI:
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3

InChIKey:
UJPPXNXOEVDSRW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)OCC)C

Functional groups:
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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.017

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Chemical structure download