(2R,4aR,8aR)-8a-hydroperoxy-4a-methyl-8-methylidene-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
PubChem CID: 21575629
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,4aR,8aR)-8a-hydroperoxy-4a-methyl-8-methylidene-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LDXCWPNUHCSVSB-RBSFLKMASA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.477 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.008 |
| Compound Name | (2R,4aR,8aR)-8a-hydroperoxy-4a-methyl-8-methylidene-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5989009999999992 |
| Inchi | InChI=1S/C15H24O2/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,10-13)17-16/h13,16H,1,3,5-10H2,2,4H3/t13-,14-,15-/m1/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@]2(C1)OO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients