7-tert-Butyl-1-Tetralone
PubChem CID: 604562
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| Compound Synonyms | 22583-68-2, 7-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-one, 7-(1,1-Dimethylethyl)-3,4-dihydro-1(2H)-naphthalenone, 7-tert-Butyl-1-Tetralone, 7-(tert-Butyl)-3,4-dihydronaphthalen-1(2H)-one, 7-tert-butyl-3,4-dihydro-2H-naphthalen-1-one, 1(2H)-Naphthalenone, 7-tert-butyl-3,4-dihydro-, 1(2H)-Naphthalenone, 7-(1,1-dimethylethyl)-3,4-dihydro-, SCHEMBL7756401, DTXSID101313390, XAA58368, MFCD11590839, AKOS008152331, NS-02089, DB-307204, CS-0217395, EN300-74187, N12849, 7-tert-Butyl-3,4-dihydro-1(2H)-naphthalenone #, 7-tert-butyl-1,2,3,4-tetrahydronaphthalene-1-one, Z1008431082 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-tert-butyl-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRSRSRJESLKZEX-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.543 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.971 |
| Compound Name | 7-tert-Butyl-1-Tetralone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6489413999999996 |
| Inchi | InChI=1S/C14H18O/c1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11/h7-9H,4-6H2,1-3H3 |
| Smiles | CC(C)(C)C1=CC2=C(CCCC2=O)C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients