3MV
Summary
| Name: | (3R,5R)-3-ethyl-2,5-dimethylheptane |
| Formula: | C11 H24 |
| Formal charge: | 0 |
| Formula weight: | 156.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,5R)-3-ethyl-2,5-dimethylheptane |
| OpenEye OEToolkits | 1.7.6 | (3R,5R)-3-ethyl-2,5-dimethyl-heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(CC(CC)C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H24/c1-6-10(5)8-11(7-2)9(3)4/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | DEZOXTLNRYCKNK-GHMZBOCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)C[C@@H](CC)C(C)C |
| SMILES | CACTVS | 3.385 | CC[CH](C)C[CH](CC)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](C)C[C@@H](CC)C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)CC(CC)C(C)C |
