Home Other Building Blocks 2-methyl-1-(4-pentylphenyl)propan-1-one

2-methyl-1-(4-pentylphenyl)propan-1-one

CAS No.:
116706-96-8
Catalog Number:
AG019KLE
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
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Product Description
Catalog Number:
AG019KLE
Chemical Name:
2-methyl-1-(4-pentylphenyl)propan-1-one
CAS Number:
116706-96-8
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
MDL Number:
MFCD09373407
IUPAC Name:
2-methyl-1-(4-pentylphenyl)propan-1-one
InChI:
InChI=1S/C15H22O/c1-4-5-6-7-13-8-10-14(11-9-13)15(16)12(2)3/h8-12H,4-7H2,1-3H3
InChI Key:
JTUWJRNEYNBPMV-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)C(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties