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4-pentyl-1-phenyl-5-trimethylsilyloxydec-1-en-3-one,Canonical SMILES:

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摘 要: 4-pentyl-1-phenyl-5-trimethylsilyloxydec-1-en-3-one,Canonical SMILES: CCCCCC(C(CCCCC)O[Si](C)(C)C)C(=O)C=CC1=CC=CC=C1,InChI: InChI=1/C24H40O2Si/c1-6-8-11-17-22(23(25)20-19-21-15-13-10-14-16-21)24,(18-12-9-7-2)26-27(3,4)5/h10,13-16,19-20,22,24H,6-9,1
[Synonyms]

[Structure]
 4-pentyl-1-phenyl-5-trimethylsilyloxydec-1-en-3-one,Canonical SMILES:

[ Properties Computed from Structure]
Molecular Weight388.6587 [g/mol]
Molecular FormulaC24H40O2Si
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count14
Tautomer Count2
Exact Mass388.279757
MonoIsotopic Mass388.279757
Topological Polar Surface Area26.3
Heavy Atom Count27
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-pentyl-1-phenyl-5-trimethylsilyloxydec-1-en-3-one
Canonical SMILES: CCCCCC(C(CCCCC)O[Si](C)(C)C)C(=O)C=CC1=CC=CC=C1
InChI: InChI=1/C24H40O2Si/c1-6-8-11-17-22(23(25)20-19-21-15-13-10-14-16-21)24
(18-12-9-7-2)26-27(3,4)5/h10,13-16,19-20,22,24H,6-9,11-12,17-18H2,1-5H3

 
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