Products for Research Use Only
RegisterLogin

4-Pentylphenyl trans-4-propyl-cyclohexanecarboxylate

CAT: 0024-sc-267724Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-267724Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
76025-60-0

Chemical Information

Trans-4-pentylphenyl 4-propylcyclohexanecarboxylate
CAS Number76025-60-0
PubChem CID21932727
IUPAC Name(4-pentylphenyl) 4-propylcyclohexane-1-carboxylate
Molecular FormulaC21H32O2
Molecular Weight316.5
XLogP7.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity323
SMILES
CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC
InChI
InChI=1S/C21H32O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3
InChIKey
ASFHPAUFWGSVGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trans-4-pentylphenyl 4-propylcyclohexanecarboxylate
CAS: 76025-60-0
CID: 21932727
Formula: C21H32O2
MW: 316.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.5
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass316.240230259
Monoisotopic Mass316.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2677234-Pentylphenyl trans-4-butyl-cyclohexanecarboxylate
sc-272690Trans, trans-4-Pentylphenyl 4'-propylbicyclohexyl-4-carboxylate
sc-2677214-Pentylphenyl 4- (trans-4-pentylcyclohexyl) -benzoate
sc-272657Trans-4-Methoxy-phenyl 4-pentyl-cyclohexanecarboxylate
sc-272672Trans-Methyl 4-aminomethyl-cyclohexanecarboxylate HCl
sc-2678464'-Cyanobiphenyl-4-yl trans-4-ethyl-cyclohexanecarboxylate
sc-272691Trans, trans-4-Propyl-4'-methoxy-bicyclohexyl
sc-272698Trans, trans-4'-Pentyl-4-propyl-bicyclohexyl
sc-272699Trans, trans-4'-Propyl-4-ethoxy-bicyclohexyl
sc-272694Trans, trans-4'- (4-Ethylphenyl) -4-propyl-bicyclohexyl

Alternative Products

CatalogName
OR1054537-01(trans, trans) -4-Pentylphenyl 4'-propyl-[1,1'-bi (cyclohexane) ]-4-carboxylate
OR1091315-01(4-pentylphenyl) (propyl) sulfane
HY-W236276Ethyl trans-4- (aminomethyl) cyclohexanecarboxylate
OR1007042-01Trans-Ethyl 4- (hydroxymethyl) cyclohexanecarboxylate
FM143110-01Trans-Methyl 4- (hydroxymethyl) cyclohexanecarboxylate
OR1048456-01Trans-Methyl 4- (benzyloxy) cyclohexanecarboxylate
OR1015292-01Trans-4-Methoxy-Phenyl 4-Pentyl-Cyclohexanecarboxylate
EBA27588Methyl trans-4- (Aminomethyl) cyclohexanecarboxylate Hydrochloride
TRC-T705150-500MGtrans,trans-4-Propyl-4-methoxy-bicyclohexyl
OR1015296-01Trans-Methyl 4- ((Tert-Butoxycarbonyl) Amino) Cyclohexanecarboxylate

Popular Products