3,8-Dimethyl-4,6-decadiyne-3,8-diol
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3,8-Dimethyl-4,6-decadiyne-3,8-diol
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CAS No:
6626-33-1
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Formula:
C12H18O2
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Chemical Name:
3,8-Dimethyl-4,6-decadiyne-3,8-diol
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Synonyms:
4,6-Decadiyne-3,8-diol,3,8-dimethyl-;3,8-Dimethyl-4,6-decadiyne-3,8-diol;NSC 59849;3,8-Dihydroxy-3,8-dimethyldec-4,6-diyne
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CAS No:
Description
ChEBI: An acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively.
3,8-dimethyldeca-4,6-diyne-3,8-diol is an acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively. It has a role as a metabolite. It is an acetylenic compound and a diol.
Computed Properties
Molecular Weight:194.27
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:194.130679813
Monoisotopic Mass:194.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:285
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3,8-Dimethyl-4,6-decadiyne-3,8-diol
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