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1,4,5-trimethylcyclohexene,Cyclohexene, 1,4,5-trimethyl-, 1,4,5-trimet

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摘 要:1,4,5-trimethylcyclohexene,Cyclohexene, 1,4,5-trimethyl-, 1,4,5-trimethylcyclohexene,Canonical SMILES: CC1CC=C(CC1C)C,InChI: InChI=1/C9H16/c1-7-4-5-8(2)9(3)6-7/h4,8-9H,5-6H2,1-3H3,Molecular Weight124.22334 [g/mol]Molecular FormulaC9H16XLogP4H-Bond Do
[Synonyms]
1,4,5-trimethylcyclohexene
Cyclohexene, 1,4,5-trimethyl-

[Structure]
1,4,5-trimethylcyclohexene,Cyclohexene, 1,4,5-trimethyl-, 1,4,5-trimet

[ Properties Computed from Structure]
Molecular Weight124.22334 [g/mol]
Molecular FormulaC9H16
XLogP4
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count0
Exact Mass124.125201
MonoIsotopic Mass124.125201
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1,4,5-trimethylcyclohexene
Canonical SMILES: CC1CC=C(CC1C)C
InChI: InChI=1/C9H16/c1-7-4-5-8(2)9(3)6-7/h4,8-9H,5-6H2,1-3H3

 
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