1,2,3,4-Tetrahydro-2,6-dimethyl-7-octylnaphthalene
PubChem CID: 599775
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| Compound Synonyms | 1,2,3,4-Tetrahydro-2,6-dimethyl-7-octylnaphthalene, Naphthalene, 1,2,3,4-tetrahydro-2,6-dimethyl-7-octyl-, QXCGTKPQXLLOQZ-UHFFFAOYSA-N, DB-300884, 1,2,3,4-tetrahydro-2,6-di-methyl-7-octylnaphthalene, 2,6-Dimethyl-7-octyl-1,2,3,4-tetrahydronaphthalene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyl-7-octyl-1,2,3,4-tetrahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 8.0 |
| Molecular Formula | C20H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXCGTKPQXLLOQZ-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -7.159 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.335 |
| Compound Name | 1,2,3,4-Tetrahydro-2,6-dimethyl-7-octylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.304151200000001 |
| Inchi | InChI=1S/C20H32/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h14-16H,4-13H2,1-3H3 |
| Smiles | CCCCCCCCC1=CC2=C(CCC(C2)C)C=C1C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients