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89272-58-2 | 6-Octen-1-one, 3,7-dimethyl-1-phenyl-, (R)-
CAS No: 89272-58-2 Catalog No: AG0041BO MDL No:
Product Description
Catalog Number:
AG0041BO
Chemical Name:
6-Octen-1-one, 3,7-dimethyl-1-phenyl-, (R)-
CAS Number:
89272-58-2
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
3,7-dimethyl-1-phenyloct-6-en-1-one
InChI:
InChI=1S/C16H22O/c1-13(2)8-7-9-14(3)12-16(17)15-10-5-4-6-11-15/h4-6,8,10-11,14H,7,9,12H2,1-3H3
InChI Key:
VSUOKGGMVWKGJS-UHFFFAOYSA-N
SMILES:
C[C@@H](CC(=O)c1ccccc1)CCC=C(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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