7F2
(2R)-octane-1,2-diol
Created: | 2016-10-17 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 1 |
Bond Count | 27 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2R)-octane-1,2-diol |
Systematic Name (OpenEye OEToolkits) | (2~{R})-octane-1,2-diol |
Formula | C8 H18 O2 |
Molecular Weight | 146.227 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCCCCC(CO)O |
SMILES | CACTVS | 3.385 | CCCCCC[CH](O)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCC(CO)O |
Canonical SMILES | CACTVS | 3.385 | CCCCCC[C@@H](O)CO |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC[C@H](CO)O |
InChI | InChI | 1.03 | InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1 |
InChIKey | InChI | 1.03 | AEIJTFQOBWATKX-MRVPVSSYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6994435 |
ChEBI | CHEBI:37874 |