hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
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hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
structure -
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CAS No:
27959-79-1
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Formula:
C21H38O4
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Chemical Name:
hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
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Synonyms:
NSC2394;27959-79-1;NSC-2394;ZINC4403543;3-(HEXOXYCARBONYLMETHYL)-2, HEXYL ESTER
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CAS No:
hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate Basic Attributes
354.5 g/mol
354.27700969 g/mol
2394
Computed Properties
Molecular Weight:354.5
XLogP3:6.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:15
Exact Mass:354.27700969
Monoisotopic Mass:354.27700969
Topological Polar Surface Area:52.6
Heavy Atom Count:25
Complexity:403
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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