| 2D Structure | |
| CID | 10129 |
| Target | CYP2D6 , CYP3A4 , ESR1 |
| IUPAC Name | 2,6,6-trimethylbicyclo[3.1.1]heptane |
| InChI | InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 |
| InChI Key | XOKSLPVRUOBDEW-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C10H18 |
| Molecular Weight | 138.25 |
| synonyms | ['Pinane', '473-55-2', '2,6,6-Trimethylbicyclo[3.1.1]heptane', 'DIHYDROPINENE', 'Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-', 'Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-', '2,6,6-Trimethylbicyclo(3.1.1)heptane', 'DTXSID7025922', 'CHEBI:35710', 'DTXCID705922', 'NSC-76674', '140V20YT81', '2,6,6-trimethylbicyclo(3.1.1)heptane;pinane', '207-467-1', 'Pinane, endo + exo', '(1S)-(-)-trans-Pinane', 'PINANE (2-D1)', 'PINANE (3-D1)', 'MFCD00078047', '6876-13-7', 'CAS-473-55-2', 'HSDB 5664', 'EINECS 207-467-1', 'NSC 76674', '2,6,6-trimethylnorpinane', 'Pinane, didehydro derivative', 'UNII-140V20YT81', '1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane', 'NCIOpen2_000688', 'SCHEMBL13011', 'SCHEMBL180820', 'SCHEMBL738880', 'SCHEMBL846219', 'SCHEMBL1719695', 'SCHEMBL5896876', 'SCHEMBL8057638', 'CHEMBL1422299', 'SCHEMBL11353484', 'NSC76674', 'Tox21_202039', 'Tox21_303280', '2,6-Trimethylbicyclo[3.1.1]heptane', 'AKOS015960556', 'AKOS037643346', 'Bicyclo[3.1.1]heptane,6,6-trimethyl-', 'NCGC00090847-01', 'NCGC00090847-02', 'NCGC00257210-01', 'NCGC00259588-01', 'AS-14849', 'LS-13860', '2,6,6-Trimethylbicyclo[3.1.1]heptane #', 'DB-329663', 'E75920', 'Q2095373', 'Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, didehydro deriv.', 'Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.beta.,5.alpha.)]-'] |
From Pubchem