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139061-46-4 | 1,3-Dodecadiene, 1-bromo-12-(1,1-dimethylethoxy)-, (E,E)- (9CI)
CAS No: 139061-46-4 Catalog No: AG001A49 MDL No:
Product Description
Catalog Number:
AG001A49
Chemical Name:
1,3-Dodecadiene, 1-bromo-12-(1,1-dimethylethoxy)-, (E,E)- (9CI)
CAS Number:
139061-46-4
Molecular Formula:
C16H29BrO
Molecular Weight:
317.3049
IUPAC Name:
1-bromo-12-[(2-methylpropan-2-yl)oxy]dodeca-1,3-diene
InChI:
InChI=1S/C16H29BrO/c1-16(2,3)18-15-13-11-9-7-5-4-6-8-10-12-14-17/h8,10,12,14H,4-7,9,11,13,15H2,1-3H3
InChI Key:
OGIJRTJVRMDLAA-UHFFFAOYSA-N
SMILES:
Br/C=C/C=C/CCCCCCCCOC(C)(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.311g/mol
Monoisotopic Mass:
316.14g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6
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