| 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 | CC1CCC2CC1C2(C)C |
| Isomeric SMILES | CC1CCC2CC1C2(C)C |
| 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-', 'HSDB 5664', 'EINECS 207-467-1', 'Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-', 'NSC 76674', '2,6,6-Trimethylbicyclo(3.1.1)heptane', 'DTXSID7025922', 'UNII-140V20YT81', 'CHEBI:35710', '1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane', 'DTXCID705922', 'NSC-76674', '2,6,6-trimethylbicyclo(3.1.1)heptane;pinane', '2,6,6-trimethylbicyclo[3.1.1]heptane;pinane', 'Pinane (8CI)', 'DIHYDROPINENE [HSDB]', '2,6,6Trimethylbicyclo(3.1.1)heptane', 'Bicyclo(3.1.1)heptane, 2,6,6trimethyl', '1a,2b,5a2,6,6Trimethylbicyclo(3.1.1)heptane', '2,6,6-TRIMETHYLBICYCLO(3,1,1)HEPTANE', '2,7,7-TRIMETHYLBICYCLO(3.1.1)HEPTANE', '(1s,2s,5s)-2,6,6-trimethylbicyclo(3.1.1)heptane', '(1s,2s,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane', 'inchi=1/c7h12/c1-2-6-4-7(3-1)5-6/h6-7h,1-5h', 'un3295', 'Pinane, endo + exo', '(1S)-(-)-trans-Pinane', 'PINANE (2-D1)', 'PINANE (3-D1)', '6876-13-7', 'CAS-473-55-2', 'Pinane, didehydro derivative', 'Caswell No. 664', 'NCIOpen2_000688', 'UNII-996299PUKB', 'CHEMBL1422299', '996299PUKB', 'NSC76674', 'EINECS 215-533-6', 'Tox21_202039', 'Tox21_303280', '2,6-Trimethylbicyclo[3.1.1]heptane', 'AKOS015960556', 'AKOS037643346', '140V20YT81', 'EPA Pesticide Chemical Code 067001', '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