(9S)-4-(methoxymethyl)-13-methyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3(7),4-triene
PubChem CID: 5318588
Connections displayed (default: 10).
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| Topological Polar Surface Area | 22.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-4-(methoxymethyl)-13-methyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3(7),4-triene |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HMRQYESDBHCVBM-UXUKBGGZSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.842 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.16 |
| Compound Name | (9S)-4-(methoxymethyl)-13-methyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3(7),4-triene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4308504588235293 |
| Inchi | InChI=1S/C15H18O2/c1-8-10-3-12-9(6-16-2)7-17-15(12)5-14(10)13-4-11(8)13/h7,11,13-14H,3-6H2,1-2H3/t11?,13?,14-/m1/s1 |
| Smiles | CC1=C2CC3=C(C[C@H]2C4C1C4)OC=C3COC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients