40S
Summary
Name: | 3-methylpentane-1,5-diol |
Formula: | C6 H14 O2 |
Formal charge: | 0 |
Formula weight: | 118.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-methylpentane-1,5-diol |
OpenEye OEToolkits | 1.7.6 | 3-methylpentane-1,5-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCCC(C)CCO |
InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(CCO)CCO |
SMILES | CACTVS | 3.385 | CC(CCO)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(CCO)CCO |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCO)CCO |