Menthone
precursor
Showing entry for Menthone
Identification
- PhytoHub ID
- PHUB000063
- Name
- Menthone
- Systematic Name
- Not Available
- Synonyms
- Menthone (L-)
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- (2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-one
- InChI Key
- NFLGAXVYCFJBMK-BRJQIKQINA-N
- InChI Identifier
InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/s2
- SMILES
CC(C)[[email protected]@H]1CC[[email protected]@H](C)CC1=O
- Structure
Structure for Menthone
Calculated Properties
- Solubility (ALOGPS)
- 2.65e-01 g/l
- LogS (ALOGPS)
- -2.77
- LogP (ALOGPS)
- 2.65
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 17.07
- Refractivity
- 46.5201
- Polarizability
- 19.02039036334095
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.420780675838816
- 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
External Links
- ChEBI
- 15410
- ChEBI
- 36492
- PubChem
- 26447
- Chemistry Dashboard
- DTXSID3044384
- MetaboLights
- MTBLC15410
- FooDB (Compounds)
- FDB009778
Taxonomy as Precursor
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP000248 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP000321 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP004932 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP005799 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006595 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006609 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006610 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006958 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007382 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007383 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007394 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007542 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007562 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007933 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP008386 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP008619 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP010853 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP010856 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Peppermint | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No data on inter-individual variations available