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40467-04-7 | 2,5,5-Trimethyl-2-Hexene
CAS No: 40467-04-7 Catalog No: AG003952 MDL No:
Product Description
Catalog Number:
AG003952
Chemical Name:
2,5,5-Trimethyl-2-Hexene
CAS Number:
40467-04-7
Molecular Formula:
C9H18
Molecular Weight:
126.2392
IUPAC Name:
2,5,5-trimethylhex-2-ene
InChI:
InChI=1S/C9H18/c1-8(2)6-7-9(3,4)5/h6H,7H2,1-5H3
InChI Key:
HRQAGBJHQCEBBY-UHFFFAOYSA-N
SMILES:
CC(=CCC(C)(C)C)C
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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