LWE
Summary
Name: | (+)-menthone |
Formula: | C10 H18 O |
Formal charge: | 0 |
Formula weight: | 154.249 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 |
InChIKey | InChI | 1.06 | NFLGAXVYCFJBMK-DTWKUNHWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1CC[C@H](C)CC1=O |
SMILES | CACTVS | 3.385 | CC(C)[CH]1CC[CH](C)CC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC[C@@H](C(=O)C1)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C(=O)C1)C(C)C |