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

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摘 要:Bicyclo[6.3.0]undec-1(8)-en-3-ol, 2,2,5,5-tetramethyl- 4,4,7,7-tetramethyl-2,3,5,6,8,9-hexahydro-1H-cyclopenta[8]annulen-5-ol,Canonical SMILES: CC1(CCC2=C(CCC2)C(C(C1)O)(C)C)C,InChI: InChI=1/C15H26O/c1-14(2)9-8-11-6-5-7-12(11)15(3,4)13(16)10-14/h13,1
[Synonyms]
Bicyclo[6.3.0]undec-1(8)-en-3-ol, 2,2,5,5-tetramethyl-
[Structure]
Bicyclo[6.3.0]undec-1(8)-en-3-ol, 2,2,5,5-tetramethyl- 4,4,7,7-tetrame

[ Properties Computed from Structure]
Molecular Weight222.36634 [g/mol]
Molecular FormulaC15H26O
XLogP3.7
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass222.198365
MonoIsotopic Mass222.198365
Topological Polar Surface Area20.2
Heavy Atom Count16
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4,4,7,7-tetramethyl-2,3,5,6,8,9-hexahydro-1H-cyclopenta[8]annulen-5-ol
Canonical SMILES: CC1(CCC2=C(CCC2)C(C(C1)O)(C)C)C
InChI: InChI=1/C15H26O/c1-14(2)9-8-11-6-5-7-12(11)15(3,4)13(16)10-14/h13,16H,
5-10H2,1-4H3

 
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