(4E,6R,9E)-3,6,10-trimethyl-6,7,8,11-tetrahydrocyclodeca[b]furan
PubChem CID: 163189031
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| Topological Polar Surface Area | 13.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4E,6R,9E)-3,6,10-trimethyl-6,7,8,11-tetrahydrocyclodeca[b]furan |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLHPQWPJVWJJPS-YIDAHTIISA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.794 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.728 |
| Compound Name | (4E,6R,9E)-3,6,10-trimethyl-6,7,8,11-tetrahydrocyclodeca[b]furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.1466588 |
| Inchi | InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-8,10-11H,4-5,9H2,1-3H3/b8-7+,12-6+/t11-/m1/s1 |
| Smiles | C[C@@H]\1CC/C=C(/CC2=C(/C=C1)C(=CO2)C)\C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralia Taibaiensis (Plant) Rel Props:Source_db:cmaup_ingredients