(1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
PubChem CID: 7054087
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| Compound Synonyms | D-Campholic acid, 31147-56-5, (1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid, Q63409019 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JDFOIACPOPEQLS-XCBNKYQSSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.756 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.211 |
| Compound Name | (1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5746624000000002 |
| Inchi | InChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/t7-,10+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@](C1(C)C)(C)C(=O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients