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16106-59-5 | 1-Hexene, 4,5-dimethyl-
CAS No: 16106-59-5 Catalog No: AG001VMW MDL No:
Product Description
Catalog Number:
AG001VMW
Chemical Name:
1-Hexene, 4,5-dimethyl-
CAS Number:
16106-59-5
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
4,5-dimethylhex-1-ene
InChI:
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChI Key:
UFWIBUBEFUNVNI-UHFFFAOYSA-N
SMILES:
C=CCC(C(C)C)C
NSC Number:
244854
Properties
Complexity:
62.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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