Identification

PhytoHub ID
PHUB000057
Name
linalool oxide (cis-furan)
Systematic Name
Not Available
Synonyms
  • cis-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-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol
InChI Key
SUOCCLKULOHEBG-DUJBIPCPNA-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
CC(C)(O)[[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
21.237663367336566
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

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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