[(1R,4S)-7-hydroxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate
PubChem CID: 14287064
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,4S)-7-hydroxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NEXMFKHZCOZEBE-KBPBESRZSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.517 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.33 |
| Compound Name | [(1R,4S)-7-hydroxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.987431199999999 |
| Inchi | InChI=1S/C17H24O3/c1-10(2)14-6-5-13(9-20-12(4)18)15-8-17(19)11(3)7-16(14)15/h7-8,10,13-14,19H,5-6,9H2,1-4H3/t13-,14-/m0/s1 |
| Smiles | CC1=CC2=C(C=C1O)[C@@H](CC[C@H]2C(C)C)COC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fordia Cauliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glaucium Pulchrum (Plant) Rel Props:Source_db:cmaup_ingredients