Summary

IMPPAT Phytochemical identifier: IMPHY000084

Phytochemical name: 2-Heptanol

Synonymous chemical names:
2-heptanol, heptan-2-ol

External chemical identifiers:
CID:10976, ChEMBL:CHEMBL449522, ChEBI:88815, FDASRS:E12FIG07JK, SureChEMBL:SCHEMBL22896, MolPort-001-759-307

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Chemical structure information

SMILES:
CCCCCC(O)C

InChI:
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

InChIKey:
CETWDUZRCINIHU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO)C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.459

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Chemical structure download