Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017914

Phytochemical name: (R)-oct-1-en-3-ol

Synonymous chemical names:
(R)-oct-1-en-3-ol

External chemical identifiers:
CID:CID_6992244, ChEMBL:CHEMBL1230177, ChEBI:CHEBI:39932, ZINC:ZINC000001562157, FDASRS:BYV0MEV7V1, SureChEMBL:SCHEMBL444600, Molport-019-996-045

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Chemical structure information

SMILES:
CCCCC[C@H](C=C)O

InChI:
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1

InChIKey:
VSMOENVRRABVKN-QMMMGPOBSA-N

DeepSMILES:
CCCCC[C@H]C=C))O

Functional groups:
CO, C=CC

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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: 2.081

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Chemical structure download