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9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-

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摘 要: 9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-ol,Canonical SMILES: CC(=CCCC(=CCO)C)CCC1C(=C)CCCC1(C)C,InChI: InChI=1/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,,4)5/h8,13,19,21H,3,6-7,9-12,14-15H2,1-2,4-5H3,
[Synonyms]

[Structure]
 9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-

[ Properties Computed from Structure]
Molecular Weight290.48336 [g/mol]
Molecular FormulaC20H34O
XLogP4.8
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count7
Exact Mass290.260966
MonoIsotopic Mass290.260966
Topological Polar Surface Area20.2
Heavy Atom Count21
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count2
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-ol
Canonical SMILES: CC(=CCCC(=CCO)C)CCC1C(=C)CCCC1(C)C
InChI: InChI=1/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,
4)5/h8,13,19,21H,3,6-7,9-12,14-15H2,1-2,4-5H3

 
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