2RP
Summary
Name: | (2R)-pentan-2-ol |
Formula: | C5 H12 O |
Formal charge: | 0 |
Formula weight: | 88.148 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R)-pentan-2-ol |
OpenEye OEToolkits | 1.5.0 | (2R)-pentan-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(C)CCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC[C@@H](C)O |
SMILES | CACTVS | 3.341 | CCC[CH](C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC[C@@H](C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(C)O |
InChI | InChI | 1.03 | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1 |
InChIKey | InChI | 1.03 | JYVLIDXNZAXMDK-RXMQYKEDSA-N |