Structure Database (LMSD)

Common Name
5-pentylresorcinol
Systematic Name
5-pentylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030008
Formula
C11H16O2
Exact Mass
Calculate m/z
180.11503
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

Biological Context

Olivetol is an analytical reference standard categorized as a resorcinol. Olivetol has been found in Cannabis vape cartridges.1 This product is intended for research and forensic applications.

This information has been provided by Cayman Chemical

References

1. Guo, W., Vrdolijak, G., Liao, V.-C., et al. Major constituents of Cannabis vape oil liquid, vapor and aerosol in California vape oil cartridge samples. Front. Chem. 9, 694905 (2021).

String Representations

InChiKey (Click to copy)
IRMPFYJSHJGOPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCC)C=C(O)C=1

Other Databases

CHEBI ID
66960
PubChem CID
10377
Cayman ID
35202

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 185.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.83
Molar Refractivity 53.00

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Updated at
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