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1,1-Dimethyldecahydronaphthalene,Naphthalene, decahydro-1,1-dimethyl-,

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摘 要:1,1-Dimethyldecahydronaphthalene,Naphthalene, decahydro-1,1-dimethyl-, 8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene,Canonical SMILES: CC1(CCCC2C1CCCC2)C,InChI: InChI=1/C12H22/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h10-11H,3-9H2,1-2H3,Molecular
[Synonyms]
1,1-Dimethyldecahydronaphthalene
Naphthalene, decahydro-1,1-dimethyl-

[Structure]
1,1-Dimethyldecahydronaphthalene,Naphthalene, decahydro-1,1-dimethyl-,

[ Properties Computed from Structure]
Molecular Weight166.30308 [g/mol]
Molecular FormulaC12H22
XLogP5.1
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count0
Exact Mass166.172151
MonoIsotopic Mass166.172151
Topological Polar Surface Area0
Heavy Atom Count12
Formal Charge0
Complexity157
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: 8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
Canonical SMILES: CC1(CCCC2C1CCCC2)C
InChI: InChI=1/C12H22/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h10-11H,3-9H2,1-2H3

 
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