(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde
PubChem CID: 14681764
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| Compound Synonyms | 64185-18-8, (R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde, DB-290189 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DOXGAJNACWJRHA-SNVBAGLBSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.349 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.003 |
| Compound Name | (R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4621359999999997 |
| Inchi | InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1 |
| Smiles | CC(=C)[C@@H]1CCC2=C(C1)C(=CC(=C2)O)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