2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
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![2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/84301996b05441e9b9b86737c6d19059.png "2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid")
2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
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CAS No:
98873-75-7
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Formula:
C15H22O2
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Chemical Name:
2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
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Synonyms:
rupestric acid;Rupestric acid;98873-75-7;DTXSID10913036;2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid;2-(3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl)prop-2-enoic acid;5-Azuleneacetic acid, 1,2,3,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-, (3R-(3alpha,5alpha,8beta,8aalpha))-
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CAS No:
2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid Basic Attributes
234.33 g/mol
234.161979940 g/mol
Computed Properties
Molecular Weight:234.33
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:234.161979940
Monoisotopic Mass:234.161979940
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:367
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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