In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2009 | 35 | Yes |
Popular Name: 4-(4-n-Pentylcyclohexyl)phenyl 4-(4-n-propylcyclohexyl)cyclohexanecarboxylate 4-(4-n-Pentylcyclohexyl)phenyl 4…
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CAS Number: 131790-57-3
(trans,trans)-4-(4-trans-Pentylcyclohexyl)phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
4-(4-n-Pentylcyclohexyl)phenyl 4'-n-propylbicyclohexyl-4-carboxylate, 97%
4-(trans-4-n-Propylcyclohexyl)phenyl trans-(4-propylcyclohexyl)cyclohexanecarboxylate
TRANS,TRANS-4- -PHENYL4''-PROPYLBICYCLOHEXYL-4-CARBOXYLATE
trans,trans-4-(trans-4-Pentylcyclohexyl)phenyl 4'-propylbicyclohexyl-4-carboxylate
trans-4-(4-n-Pentylcyclohexyl)phenyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate, 97%
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 9.30 | 21.8 | -4.69 | 0 | 2 | 0 | 26 | 480.777 | 11 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 213-223? | Alfa-Aesar |
Melting_Point | 213-223° | Alfa-Aesar |
Melting_Point | 219-234? | Alfa-Aesar |
Melting_Point | 219-234° | Alfa-Aesar |
PUBCHEM_PATENT_ID | US5387369; US5876626 | IBM Patent Data |