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Bicyclo[6.3.0]undec-1(8)-en-3-one, 2,2,5,5-tetramethyl- 4,4,7,7-tetram

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摘 要:Bicyclo[6.3.0]undec-1(8)-en-3-one, 2,2,5,5-tetramethyl- 4,4,7,7-tetramethyl-1,2,3,6,8,9-hexahydrocyclopenta[8]annulen-5-one,Canonical SMILES: CC1(CCC2=C(CCC2)C(C(=O)C1)(C)C)C,InChI: InChI=1/C15H24O/c1-14(2)9-8-11-6-5-7-12(11)15(3,4)13(16)10-14/h5-10H
[Synonyms]
Bicyclo[6.3.0]undec-1(8)-en-3-one, 2,2,5,5-tetramethyl-
[Structure]
Bicyclo[6.3.0]undec-1(8)-en-3-one, 2,2,5,5-tetramethyl- 4,4,7,7-tetram

[ Properties Computed from Structure]
Molecular Weight220.35046 [g/mol]
Molecular FormulaC15H24O
XLogP3.9
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count0
Tautomer Count2
Exact Mass220.182715
MonoIsotopic Mass220.182715
Topological Polar Surface Area17.1
Heavy Atom Count16
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4,4,7,7-tetramethyl-1,2,3,6,8,9-hexahydrocyclopenta[8]annulen-5-one
Canonical SMILES: CC1(CCC2=C(CCC2)C(C(=O)C1)(C)C)C
InChI: InChI=1/C15H24O/c1-14(2)9-8-11-6-5-7-12(11)15(3,4)13(16)10-14/h5-10H2,
1-4H3

 
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