3,7-dimethylocta-1-en-3,7-diol
Showing entry for 3,7-dimethylocta-1-en-3,7-diol
Identification
- PhytoHub ID
- PHUB000025
- Name
- 3,7-dimethylocta-1-en-3,7-diol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 172.268
- Monoisotopic Mass
- 172.146329884
- Chemical Formula
- C10H20O2
- IUPAC Name
- 2,6-dimethyloct-7-ene-2,6-diol
- InChI Key
- SRPFYGUVQUDURC-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3
- SMILES
CC(C)(O)CCCC(C)(O)C=C
- Structure
Structure for 3,7-dimethylocta-1-en-3,7-diol
Calculated Properties
- Solubility (ALOGPS)
- 3.28e+00 g/l
- LogS (ALOGPS)
- -1.72
- LogP (ALOGPS)
- 1.65
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 5
- Polar Surface Area
- 40.46
- Refractivity
- 51.192699999999995
- Polarizability
- 20.558466958453486
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.9937745963456137
- pKa (strongest acidic)
- 18.336824648789403
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 120154
Precursor Taxonomy
| Precursor | Family | Class | Sub-class |
|---|
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show |
Metabolism
No metabolism information available