Identification

PhytoHub ID
PHUB000059
Name
linalool oxide (trans-anhydrofuran)
Systematic Name
Not Available
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-NLJMKPLXNA-N
InChI Identifier
InChI=1/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/s2
SMILES
CC(=C)[[email protected]@H]1CC[[email protected]](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
18.103468871561475
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.242702514205473
pKa (strongest acidic)
Not Available
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

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

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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