1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
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1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
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CAS No:
102244-20-2
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Formula:
C17H30OS
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Chemical Name:
1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
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Synonyms:
102244-20-2;BRN 5519977;2,5,6-Trimethyl-7-heptylthiohept-1-en-3-yn-5-ol;1-(Heptylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol;6-HEPTEN-4-YN-3-OL, 1-(HEPTYLTHIO)-2,3,6-TRIMETHYL-;1-(heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol;DTXSID00907287
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CAS No:
Computed Properties
Molecular Weight:282.5
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:282.20173675
Monoisotopic Mass:282.20173675
Topological Polar Surface Area:45.5
Heavy Atom Count:19
Complexity:323
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
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