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3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol,3-Methyl-3-(3-methyl-

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摘 要:3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol,3-Methyl-3-(3-methyl-3-[(3-methyl-3-butenyl)oxy]butoxy)-1-butanol, 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol,Canonical SMILES: CC(=C)CCOC(C)(C)CCOC(C)(C)CCO,InChI: InChI=1/C15H30O3/
[Synonyms]
3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
3-Methyl-3-(3-methyl-3-[(3-methyl-3-butenyl)oxy]butoxy)-1-butanol

[Structure]
3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol,3-Methyl-3-(3-methyl-

[ Properties Computed from Structure]
Molecular Weight258.3969 [g/mol]
Molecular FormulaC15H30O3
XLogP2.6
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count10
Exact Mass258.219495
MonoIsotopic Mass258.219495
Topological Polar Surface Area38.7
Heavy Atom Count18
Formal Charge0
Complexity244
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: 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
Canonical SMILES: CC(=C)CCOC(C)(C)CCOC(C)(C)CCO
InChI: InChI=1/C15H30O3/c1-13(2)7-11-17-15(5,6)9-12-18-14(3,4)8-10-16/h16H,1,
7-12H2,2-6H3

 
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