DHM

2,6-DIMETHYL-7-OCTEN-2-OL

Created: 2000-03-13
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count30
Aromatic Bond Count0
2D diagram of DHM

Chemical Component Summary

Name2,6-DIMETHYL-7-OCTEN-2-OL
Systematic Name (OpenEye OEToolkits)(6R)-2,6-dimethyloct-7-en-2-ol
FormulaC10 H20 O
Molecular Weight156.265
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC(C)(C)CCCC(\C=C)C
SMILESCACTVS3.341C[CH](CCCC(C)(C)O)C=C
SMILESOpenEye OEToolkits1.5.0CC(CCCC(C)(C)O)C=C
Canonical SMILESCACTVS3.341 C[C@H](CCCC(C)(C)O)C=C
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](CCCC(C)(C)O)C=C
InChIInChI1.03 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
InChIKeyInChI1.03 XSNQECSCDATQEL-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank IDDB02273 
Name2,6-Dimethyl-7-Octen-2-Ol
Groups experimental
Synonyms2,6-Dimethyl-7-Octen-2-Ol
CAS number18479-58-8

Related Resource References

Resource NameReference
PubChem 529616