| CAS Number | 116903-49-2 |
| Catalog Number | AG008S8T(AGN-PC-0NZ4N6) |
| Chemical Name | 1-(4-trans-Propylcyclohexyl)-4-[4(4-propyloxyphenyl)ethinyl]-benzol |
| EC Number | 601-459-5 |
| IUPAC Name | 1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene |
| InChI | InChI=1S/C26H32O/c1-3-5-21-8-14-24(15-9-21)25-16-10-22(11-17-25)6-7-23-12-18-26(19-13-23)27-20-4-2/h10-13,16-19,21,24H,3-5,8-9,14-15,20H2,1-2H3 |
| InChI Key | KPRYWLQZHXTLHW-UHFFFAOYSA-N |
| MDL Number | MFCD11053434 |
| Molecular Formula | C26H32O |
| Molecular Weight | 360.5317 |
| SMILES | CCCOc1ccc(cc1)C#Cc1ccc(cc1)[C@H]1CC[C@H](CCC)CC1 |
| Synonyms | 116903-49-2,
1-Propoxy-4-((4-(trans-4-propylcyclohexyl)phenyl)ethynyl)benzene,
TRANS-1-(2-(4-PROPOXYPHENYL)ETHYNYL)-4-(4-PROPYLCYCLOHEXYL)BENZENE,
SCHEMBL5352047,
DTXSID10564128,
MFCD11053434,
ZINC34365136,
ZINC263589460,
1-Propoxy-4-{[4-(4-propylcyclohexyl)phenyl]ethynyl}benzene,
trans-1-Propoxy-4-(2-(4-(4-propylcyclohexyl)phenyl)ethynyl)benzene,
1-(4-trans-Propylcyclohexyl)-4-[4(4-propyloxyphenyl)ethinyl]-benzol,
KPRYWLQZHXTLHW-UHFFFAOYSA-N,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.245g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.541g/mol |
| Monoisotopic Mass | 360.245g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number