(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID: 15241250
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | GWTHBPSLWRXRSF-KVPLUYHFSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.203720618181818 |
| Inchi | InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16-,17+,19-,20+/m0/s1 |
| Smiles | CC1=C(OC=C1)C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@@]2(C)O)(C)C)C |
| Xlogp | 5.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H32O2 |
- 1. Outgoing r'ship
FOUND_INto/from Baccharis Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients