Identification

PhytoHub ID
PHUB000056
Name
linalool oxide (cis-anhydrofuran)
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-GHMZBOCLSA-N
InChI Identifier
InChI=1S/C11H18O/c1-6-10(4)7-8-11(5,12-10)9(2)3/h6H,1-2,7-8H2,3-5H3/t10-,11-/m1/s1
SMILES
CC(=C)[C@@]1(C)CC[C@](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
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Taxonomy

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

Metabolism

No metabolism information available

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