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116668-49-6 | 2,6-Octadiene, 3,6-dimethyl-
CAS No: 116668-49-6 Catalog No: AG000CY8 MDL No:
Product Description
Catalog Number:
AG000CY8
Chemical Name:
2,6-Octadiene, 3,6-dimethyl-
CAS Number:
116668-49-6
Molecular Formula:
C10H18
Molecular Weight:
138.2499
IUPAC Name:
3,6-dimethylocta-2,6-diene
InChI:
InChI=1S/C10H18/c1-5-9(3)7-8-10(4)6-2/h5-6H,7-8H2,1-4H3
InChI Key:
LTZABYZUYVJLDA-UHFFFAOYSA-N
SMILES:
CC=C(CCC(=CC)C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.141g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.254g/mol
Monoisotopic Mass:
138.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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