4,8-Dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
PubChem CID: 135859
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C16H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BSXTWYDVYNXVHH-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 4,8-Dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.146 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 244.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 244.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7498374666666665 |
| Inchi | InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3 |
| Smiles | CC1=CCC2=C(C=CC(=C2)OCC(=CCC1)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients