precursor
Showing entry for Terpineol-gamma
Identification
- PhytoHub ID
- PHUB000091
- Name
- Terpineol-gamma
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- 1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol
- InChI Key
- NNRLDGQZIVUQTE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3
- SMILES
CC(C)=C1CCC(C)(O)CC1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.68e+00 g/l
- LogS (ALOGPS)
- -1.62
- LogP (ALOGPS)
- 2.68
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 0
- Polar Surface Area
- 20.23
- Refractivity
- 48.195299999999996
- Polarizability
- 18.926747895528237
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.0335572286898191
- pKa (strongest acidic)
- 19.03576308027019
External Links
- ChEBI
- 81151
- PubChem
- 11467
- Chemistry Dashboard
- DTXSID2060416
- KNApSAcK
- C00010935
- FooDB (Compounds)
- FDB015965
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP000248 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP000321 | 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 |
JP007383 | 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 |
Food Sources
Name | Group | |||
---|---|---|---|---|
Cheese | Milk and milk products | Publications | Show |
Metabolism
No metabolism information available