1,4,5,8-Tetramethylnaphthalene
PubChem CID: 137689
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| Compound Synonyms | 1,4,5,8-Tetramethylnaphthalene, 2717-39-7, DWUSGRRPJCRNCI-UHFFFAOYSA-, DTXSID60873252, DTXCID70820757, 1,4,5,8-tetramethyl-naphthalene, AKOS006279129, FT66279, NS00095841 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,5,8-tetramethylnaphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C14H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWUSGRRPJCRNCI-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -5.772 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.962 |
| Compound Name | 1,4,5,8-Tetramethylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.428019828571428 |
| Inchi | InChI=1S/C14H16/c1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14/h5-8H,1-4H3 |
| Smiles | CC1=C2C(=CC=C(C2=C(C=C1)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients