96846-76-3 Purity
96%
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Specification
The molecular formula of 2,6-Dimethyl-6-hepten-4-yn-3-ol is C9H14O.
The molecular weight of 2,6-Dimethyl-6-hepten-4-yn-3-ol is 138.21 g/mol.
2,6-Dimethyl-6-hepten-4-yn-3-ol was created in PubChem in October 26, 2006.
The IUPAC name of 2,6-Dimethyl-6-hepten-4-yn-3-ol is 2,6-dimethylhept-6-en-4-yn-3-ol.
The Canonical SMILES notation of 2,6-Dimethyl-6-hepten-4-yn-3-ol is CC(C)C(C#CC(=C)C)O.
The InChIKey of 2,6-Dimethyl-6-hepten-4-yn-3-ol is BFMYHVFFFLJULH-UHFFFAOYSA-N.
The XLogP3-AA value of 2,6-Dimethyl-6-hepten-4-yn-3-ol is 2.6.
2,6-Dimethyl-6-hepten-4-yn-3-ol has 1 hydrogen bond donor count.
2,6-Dimethyl-6-hepten-4-yn-3-ol has 2 rotatable bond counts.
Yes, 2,6-Dimethyl-6-hepten-4-yn-3-ol is a canonicalized compound in PubChem.