CHEBI:178389 - Diisobutylcarbinol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Diisobutylcarbinol
ChEBI ID CHEBI:178389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H20O
Net Charge 0
Average Mass 144.258
Monoisotopic Mass 144.15142
InChI InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
InChIKey HXQPUEQDBSPXTE-UHFFFAOYSA-N
SMILES OC(CC(C)C)CC(C)C
ChEBI Ontology
Outgoing Diisobutylcarbinol (CHEBI:178389) is a secondary alcohol (CHEBI:35681)
IUPAC Name
2,6-dimethylheptan-4-ol
Manual Xrefs Databases
7669 ChemSpider
HMDB0031153 HMDB
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Registry Number Type Source
108-82-7 CAS Registry Number ChemIDplus