linalool oxide (cis-furan)
precursor
Showing entry for linalool oxide (cis-furan)
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-GHMZBOCLSA-N
- InChI Identifier
InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11-/m1/s1
- SMILES
CC(C)(O)[C@@]1(C)CC[C@](C)(O1)C=C
- Structure
Structure for linalool oxide (cis-furan)
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 as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available