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)[[email protected]]1(C)CC[[email protected]](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 Precursor

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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