Identification

PhytoHub ID
PHUB000060
Name
linalool oxide (trans-furan)
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-MNOVXSKESA-N
InChI Identifier
InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11+/m1/s1
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)
-3.187839844836719
pKa (strongest acidic)
14.110562769006126
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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