ethyl (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID: 10491586
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | ethyl (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C16H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RZRWYTLNQXCLOT-LLVKDONJSA-N |
| Fcsp3 | 0.4375 |
| Logs | -4.059 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.609 |
| Compound Name | ethyl (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 260.329 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.031948810526314 |
| Inchi | InChI=1S/C16H20O3/c1-4-19-16(18)15-9-13(17)7-12-6-5-11(10(2)3)8-14(12)15/h7,9,11,17H,2,4-6,8H2,1,3H3/t11-/m1/s1 |
| Smiles | CCOC(=O)C1=CC(=CC2=C1C[C@@H](CC2)C(=C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Source_db:cmaup_ingredients