Identification

PhytoHub ID
PHUB000059
Name
linalool oxide (trans-anhydrofuran)
Synonyms
  • ttrans-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
(2S,5S)-2-ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolane
InChI Key
XIGFNCYVSHOLIF-VHSXEESVSA-N
InChI Identifier
InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/m0/s1
SMILES
CC(=C)[C@@H]1CC[C@](C)(O1)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
1.37e-01 g/l
LogS (ALOGPS)
-3.05
LogP (ALOGPS)
3.13
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
2
Polar Surface Area
9.23
Refractivity
47.1395
Polarizability
18.281927241606127
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.242702514205473
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000133MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005732MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006591MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006607MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006682MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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