Metabolite 8-hydroxycamphor
- Name
- 8-hydroxycamphor
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 168.236
Monoisotopic: 168.115029755 - Chemical Formula
- C10H16O2
- InChI Key
- DJQYBVLXBVJHMU-ZRJGNOHYSA-N
- InChI
- InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7?,10-/m0/s1
- IUPAC Name
- (1R,4R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- SMILES
- CC1(C)[C@H]2CC(=O)[C@]1(C)CC2O
- Reactions
- Camphor 8-hydroxycamphor
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 136.54466 predictedDeepCCS 1.0 (2019) [M+H]+ 138.94023 predictedDeepCCS 1.0 (2019) [M+Na]+ 144.90173 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 58829836
- Predicted Properties
Property Value Source Water Solubility 12.4 mg/mL ALOGPS logP 1.12 ALOGPS logP 1.24 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 14.88 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 46.08 m3·mol-1 Chemaxon Polarizability 18.65 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon