(5R)-5-hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid
PubChem CID: 9989926
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5-hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HMGSPQHNDSWPPQ-ZETCQYMHSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.516 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.627 |
| Compound Name | (5R)-5-hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6407569999999996 |
| Inchi | InChI=1S/C10H16O3/c1-6-8(9(12)13)4-7(11)5-10(6,2)3/h7,11H,4-5H2,1-3H3,(H,12,13)/t7-/m0/s1 |
| Smiles | CC1=C(C[C@@H](CC1(C)C)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients