Summary

IMPPAT Phytochemical identifier: IMPHY015301

Phytochemical name: 2-Tetradecanone

Synonymous chemical names:
2-tetradecanone, tetradecan-2-one, tetradecanone*

External chemical identifiers:
CID:75364, ChEBI:89818, ZINC:ZINC000001841306, SureChEMBL:SCHEMBL162632, MolPort-006-114-217

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(=O)C

InChI:
InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3

InChIKey:
POQLVOYRGNFGRM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC=O)C

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.482

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Chemical structure download