2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran
precursor
Showing entry for 2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran
Identification
- PhytoHub ID
- PHUB000020
- Name
- 2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran
- Systematic Name
- Not Available
- Synonyms
- Ocimen quintoxide
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- 5-(but-2-en-2-yl)-2,2-dimethyloxolane
- InChI Key
- LPEYLSKLVYWOEQ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3
- SMILES
CC=C(C)C1CCC(C)(C)O1
- Structure
Structure for 2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran
Calculated Properties
- Solubility (ALOGPS)
- 4.38e-01 g/l
- LogS (ALOGPS)
- -2.55
- LogP (ALOGPS)
- 3.82
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 9.23
- Refractivity
- 48.3989
- Polarizability
- 19.040528033897758
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.21342096490661
- 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 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 |
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