(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one
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![(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5b1462c8912b4bd3bf4cd6646455a813.png "(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one")
(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one
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CAS No:
103619-04-1
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Formula:
C12H22O2
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Chemical Name:
(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one
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Synonyms:
3,6,7-tri-epi-invictolide;invictolide;Invictolide;103619-04-1;(-)-Invictolide;DTXSID90908506;3,5-DIMETHYL-6-(PENTAN-2-YL)OXAN-2-ONE;2H-Pyran-2-one, tetrahydro-3,5-dimethyl-6-((1R)-1-methylbutyl)-, (3R,5R,6S)-
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CAS No:
(3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one Basic Attributes
198.30 g/mol
198.161979940 g/mol
Computed Properties
Molecular Weight:198.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:201
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (3R,5R,6S)-3,5-dimethyl-6-[(2R)-pentan-2-yl]oxan-2-one
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