1,8-Dimethyltetralin
PubChem CID: 32970
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| Compound Synonyms | 1,8-DIMETHYLTETRALIN, 25419-33-4, 1,8-DIMETHYLTETRALINE, 1,8-dimethyl-1,2,3,4-tetrahydronaphthalene, Naphthalene, 1,2,3,4-tetrahydro-1,8-dimethyl-, 1,8-Dimethyl-[1,2,3,4-tetrahydronaphthalene], DTXSID10880794, Naphthalene,1,2,3,4-tetrahydro-1,8-dimethyl-, 1,8-Dimethyl-(1,2,3,4-tetrahydronaphthalene), DTXCID001022150, AKOS006273621, NS00096123, 1,2,3,4-tetrahydro-1,8-dimethylnaphthalene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dimethyl-1,2,3,4-tetrahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C12H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVNZVXVZQFTXNA-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.812 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.889 |
| Compound Name | 1,8-Dimethyltetralin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 160.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.717312 |
| Inchi | InChI=1S/C12H16/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3,5,7,10H,4,6,8H2,1-2H3 |
| Smiles | CC1CCCC2=CC=CC(=C12)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients