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1-(7a-Methyloctahydro-1H-inden-1-yl)ethanone,Ethanone, 1-(octahydro-7a

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摘 要:1-(7a-Methyloctahydro-1H-inden-1-yl)ethanone,Ethanone, 1-(octahydro-7a-methyl-1H-inden-1-yl)-, (1.alpha.,3a.alpha.,7a.beta.)-,Ethanone, 1-(octahydro-7a-methyl-1H-inden-1-yl)-, (1.alpha.,3a.beta.,7a.alpha.)-,Ketone, 3a.alpha.,4,5,6,7,7a-hexahydro-7a.b
[Synonyms]
1-(7a-Methyloctahydro-1H-inden-1-yl)ethanone
Ethanone, 1-(octahydro-7a-methyl-1H-inden-1-yl)-, (1.alpha.,3a.alpha.,7a.beta.)-
Ethanone, 1-(octahydro-7a-methyl-1H-inden-1-yl)-, (1.alpha.,3a.beta.,7a.alpha.)-
Ketone, 3a.alpha.,4,5,6,7,7a-hexahydro-7a.beta.-methyl-1.alpha.-indanyl methyl
Ketone, 3a.alpha.,4,5,6,7,7a-hexahydro-7a.beta.-methyl-1.beta.-indanyl methyl
Ketone, 3a.beta.,4,5,6,7,7a-hexahydro-7a.beta.-methyl-1.alpha.-indanyl methyl
Ketone, 3a.beta.,4,5,6,7,7a-hexahydro-7a.beta.-methyl-1.beta.-indanyl methyl

[Structure]
1-(7a-Methyloctahydro-1H-inden-1-yl)ethanone,Ethanone, 1-(octahydro-7a

[ Properties Computed from Structure]
Molecular Weight180.2866 [g/mol]
Molecular FormulaC12H20O
XLogP3.9
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count1
Tautomer Count3
Exact Mass180.151415
MonoIsotopic Mass180.151415
Topological Polar Surface Area17.1
Heavy Atom Count13
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanone
Canonical SMILES: CC(=O)C1CCC2C1(CCCC2)C
InChI: InChI=1/C12H20O/c1-9(13)11-7-6-10-5-3-4-8-12(10,11)2/h10-11H,3-8H2,1-2H3

 
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