A1EX6
Summary
| Name: | (4~{a}~{S},7~{S},7~{a}~{R})-4,7-dimethyl-5,6,7,7~{a}-tetrahydro-4~{a}~{H}-cyclopenta[c]pyran-1-one |
| Synonyms: | nepetalactone cis-trans-form |
| Formula: | C10 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{S},7~{S},7~{a}~{R})-4,7-dimethyl-5,6,7,7~{a}-tetrahydro-4~{a}~{H}-cyclopenta[c]pyran-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.06 | ZDKZHVNKFOXMND-NBEYISGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC[C@H]2[C@@H]1C(=O)OC=C2C |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH]2[CH]1C(=O)OC=C2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC[C@H]2[C@@H]1C(=O)OC=C2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC2C1C(=O)OC=C2C |
