LTL
Summary
Name: | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE |
Formula: | C8 H16 O2 |
Formal charge: | 0 |
Formula weight: | 144.211 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-hydroxy-6-methylheptan-3-one |
OpenEye OEToolkits | 1.5.0 | 6-hydroxy-6-methyl-heptan-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(CC)CCC(O)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)CCC(C)(C)O |
SMILES | CACTVS | 3.341 | CCC(=O)CCC(C)(C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)CCC(C)(C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)CCC(C)(C)O |
InChI | InChI | 1.03 | InChI=1S/C8H16O2/c1-4-7(9)5-6-8(2,3)10/h10H,4-6H2,1-3H3 |
InChIKey | InChI | 1.03 | FGPMBONEKHYAHO-UHFFFAOYSA-N |