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15910-22-2 | 3-Hexene, 2,5-dimethyl-
CAS No: 15910-22-2 Catalog No: AG001QH4 MDL No:
Product Description
Catalog Number:
AG001QH4
Chemical Name:
3-Hexene, 2,5-dimethyl-
CAS Number:
15910-22-2
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
2,5-dimethylhex-3-ene
InChI:
InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3
InChI Key:
KNCMKWVOMRUHKZ-UHFFFAOYSA-N
SMILES:
CC(C=CC(C)C)C
Properties
Complexity:
58.1
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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