Identification

PhytoHub ID
PHUB000060
Name
linalool oxide (trans-furan)
Systematic Name
Not Available
Synonyms
  • trans-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran
CAS Number
Not Available
Average Mass
184.279
Monoisotopic Mass
184.146329884
Chemical Formula
C11H20O2
IUPAC Name
2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol
InChI Key
SUOCCLKULOHEBG-WIBLRKLZNA-N
InChI Identifier
InChI=1/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11+/s2
SMILES
[H]OC(C)(C)[C@]1(C)CC[C@](C)(O1)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
3.52e-01 g/l
LogS (ALOGPS)
-2.72
LogP (ALOGPS)
1.99
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
29.46
Refractivity
53.6823
Polarizability
21.267649369536123
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.1878398448367196
pKa (strongest acidic)
14.11056276900613
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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