| CAS Number | 116706-96-8 |
| Catalog Number | AG019KLE(AGN-PC-002HQY) |
| Chemical Name | 2-Methyl-1-(4-pentylphenyl)propan-1-one |
| 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 |
| MDL Number | MFCD09373407 |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.3346 |
| SMILES | CCCCCC1=CC=C(C(C(C)C)=O)C=C1 |
| Synonyms | 2-methyl-1-(4-pentylphenyl)propan-1-one,
116706-96-8,
AC1Q2VQC,
SCHEMBL8903662,
CTK6D7180,
ZINC12505499,
AKOS000118043,
MCULE-3124300223,
NCGC00337181-01,
EN300-27408,
AB01328921-02,
Z240127556,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number