r-Limonene
PubChem CID: 91691547
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| Compound Synonyms | r-limonene, JRFITZGBELIFQM-UHFFFAOYSA-N, 1-methyl-4-(prop1-en-2-yl)-7,8,9-trioxabicyclo[4.2.1]nonane |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-prop-1-en-2-yl-7,8,9-trioxabicyclo[4.2.1]nonane |
| Prediction Hob | 1.0 |
| Class | Oxepanes |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JRFITZGBELIFQM-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.507 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.433 |
| Compound Name | r-Limonene |
| Kingdom | Organic compounds |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -2.573157 |
| Inchi | InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3)11-9(6-8)12-13-10/h8-9H,1,4-6H2,2-3H3 |
| Smiles | CC(=C)C1CCC2(OC(C1)OO2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Oxepanes |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients