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Pentadecane, 6-pentyl 6-pentylpentadecane,Canonical SMILES: CCCCCCCCCC

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摘 要:Pentadecane, 6-pentyl 6-pentylpentadecane,Canonical SMILES: CCCCCCCCCC(CCCCC)CCCCC,InChI: InChI=1/C20H42/c1-4-7-10-11-12-13-16-19-20(17-14-8-5-2)18-15-9-6-3/h20H,,4-19H2,1-3H3,Molecular Weight282.54748 [g/mol]Molecular FormulaC20H42XLogP9.5H-Bond Don
[Synonyms]
Pentadecane, 6-pentyl
[Structure]
Pentadecane, 6-pentyl 6-pentylpentadecane,Canonical SMILES: CCCCCCCCCC

[ Properties Computed from Structure]
Molecular Weight282.54748 [g/mol]
Molecular FormulaC20H42
XLogP9.5
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count16
Exact Mass282.328651
MonoIsotopic Mass282.328651
Topological Polar Surface Area0
Heavy Atom Count20
Formal Charge0
Complexity151
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: 6-pentylpentadecane
Canonical SMILES: CCCCCCCCCC(CCCCC)CCCCC
InChI: InChI=1/C20H42/c1-4-7-10-11-12-13-16-19-20(17-14-8-5-2)18-15-9-6-3/h20H,
4-19H2,1-3H3

 
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