Menthane-3,9-diol (p-)
Showing entry for Menthane-3,9-diol (p-)
Identification
- PhytoHub ID
- PHUB001019
- Name
- Menthane-3,9-diol (p-)
- Systematic Name
- Not Available
- Synonyms
- 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
- CAS Number
- Not Available
- Average Mass
- 172.268
- Monoisotopic Mass
- 172.146329884
- Chemical Formula
- C10H20O2
- IUPAC Name
- 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
- InChI Key
- RZDAUSHWMAGQJS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H20O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-12H,3-6H2,1-2H3
- SMILES
CC(CO)C1CCC(C)CC1O
- Structure
Structure for Menthane-3,9-diol (p-)
Calculated Properties
- Solubility (ALOGPS)
- 9.55e+00 g/l
- LogS (ALOGPS)
- -1.26
- LogP (ALOGPS)
- 1.60
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 40.46
- Refractivity
- 49.29699999999999
- Polarizability
- 20.59664061989195
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.5944786809481135
- pKa (strongest acidic)
- 14.81958972042942
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (-)-Menthol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| (-)-Menthol | Mint | Herbs and Spices | Publications | Show | |
| (-)-Menthol | Peppermint | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (-)-Menthol | Menthane-3,9-diol (p-) | rat | urine | Not Available | Not Available | Not Available | Not Available | C10H20O2 | 172.146329884 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|