(+)-fenchone
precursor
Showing entry for (+)-fenchone
Identification
- PhytoHub ID
- PHUB001813
- Name
- (+)-fenchone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
- InChI Key
- LHXDLQBQYFFVNW-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
- SMILES
CC1(C)C2CCC(C)(C2)C1=O
- Structure
Structure for (+)-fenchone
Calculated Properties
- Solubility (ALOGPS)
- 8.83e-01 g/l
- LogS (ALOGPS)
- -2.24
- LogP (ALOGPS)
- 2.54
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 17.07
- Refractivity
- 44.543800000000005
- Polarizability
- 17.853066725017833
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.5937409427587745
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found