Identification

PhytoHub ID
PHUB000056
Name
linalool oxide (cis-anhydrofuran)
Systematic Name
Not Available
Synonyms
  • cis-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran
CAS Number
Not Available
Average Mass
166.264
Monoisotopic Mass
166.1357652
Chemical Formula
C11H18O
IUPAC Name
(2S,5R)-2-ethenyl-2,5-dimethyl-5-(prop-1-en-2-yl)oxolane
InChI Key
WHAUGOYPBNDJOT-DUJBIPCPNA-N
InChI Identifier
InChI=1/C11H18O/c1-6-10(4)7-8-11(5,12-10)9(2)3/h6H,1-2,7-8H2,3-5H3/t10-,11-/s2
SMILES
CC(=C)[[email protected]@]1(C)CC[[email protected]](C)(O1)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
7.48e-02 g/l
LogS (ALOGPS)
-3.35
LogP (ALOGPS)
3.58
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
2
Polar Surface Area
9.23
Refractivity
51.7777
Polarizability
19.730934952934597
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.2625778493078865
pKa (strongest acidic)
Not Available
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

Record IDSourceDescriptionView
JP006685MassBankEI-B Spectrum - -, [M]+*View Spectra

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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