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Dodecane, 6,7-dimethyl 6,7-dimethyldodecane,Canonical SMILES: CCCCCC(C

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摘 要:Dodecane, 6,7-dimethyl 6,7-dimethyldodecane,Canonical SMILES: CCCCCC(C)C(C)CCCCC,InChI: InChI=1/C14H30/c1-5-7-9-11-13(3)14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3,Molecular Weight198.388 [g/mol]Molecular FormulaC14H30XLogP6.7H-Bond Donor0H-Bond Acceptor0R
[Synonyms]
Dodecane, 6,7-dimethyl
[Structure]
Dodecane, 6,7-dimethyl 6,7-dimethyldodecane,Canonical SMILES: CCCCCC(C

[ Properties Computed from Structure]
Molecular Weight198.388 [g/mol]
Molecular FormulaC14H30
XLogP6.7
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count9
Exact Mass198.234751
MonoIsotopic Mass198.234751
Topological Polar Surface Area0
Heavy Atom Count14
Formal Charge0
Complexity92.6
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: 6,7-dimethyldodecane
Canonical SMILES: CCCCCC(C)C(C)CCCCC
InChI: InChI=1/C14H30/c1-5-7-9-11-13(3)14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3

 
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