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16714-60-6 | 1,7-Octadiene, 2,7-dimethyl-3,6-bis(methylene)-
CAS No: 16714-60-6 Catalog No: AG001X64 MDL No:
Product Description
Catalog Number:
AG001X64
Chemical Name:
1,7-Octadiene, 2,7-dimethyl-3,6-bis(methylene)-
CAS Number:
16714-60-6
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
2,7-dimethyl-3,6-dimethylideneocta-1,7-diene
InChI:
InChI=1S/C12H18/c1-9(2)11(5)7-8-12(6)10(3)4/h1,3,5-8H2,2,4H3
InChI Key:
DNLIDJGQVMJWMU-UHFFFAOYSA-N
SMILES:
C=C(C(=C)C)CCC(=C)C(=C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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