DHM
2,6-DIMETHYL-7-OCTEN-2-OL
Created: | 2000-03-13 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 1 |
Bond Count | 30 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2,6-DIMETHYL-7-OCTEN-2-OL |
Systematic Name (OpenEye OEToolkits) | (6R)-2,6-dimethyloct-7-en-2-ol |
Formula | C10 H20 O |
Molecular Weight | 156.265 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(C)(C)CCCC(\C=C)C |
SMILES | CACTVS | 3.341 | C[CH](CCCC(C)(C)O)C=C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCCC(C)(C)O)C=C |
Canonical SMILES | CACTVS | 3.341 | C[C@H](CCCC(C)(C)O)C=C |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@H](CCCC(C)(C)O)C=C |
InChI | InChI | 1.03 | InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1 |
InChIKey | InChI | 1.03 | XSNQECSCDATQEL-VIFPVBQESA-N |
Drug Info: DrugBank
DrugBank ID | DB02273 |
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Name | 2,6-Dimethyl-7-Octen-2-Ol |
Groups | experimental |
Synonyms | 2,6-Dimethyl-7-Octen-2-Ol |
CAS number | 18479-58-8 |
Related Resource References
Resource Name | Reference |
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PubChem | 529616 |