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4-(pentyloxy)phenyl (1s,4r)-4-ethylcyclohexane-1-carboxylate

4-(pentyloxy)phenyl (1s,4r)-4-ethylcyclohexane-1-carboxylate

CAS: 67589-53-1

Formula: C20H30O3

SMILES: CCCCCOC1=CC=C(OC(=O)[C@H]2CC[C@H](CC)CC2)C=C1

IUPAC: 4-(pentyloxy)phenyl (1s,4r)-4-ethylcyclohexane-1-carboxylate

InChI: InChI=1/C20H30O3/c1-3-5-6-15-22-18-11-13-19(14-12-18)23-20(21)17-9-7-16(4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3/t16-,17-

Composition: C (75.43%), H (9.50%), O (15.07%)

Molar Mass: 318.457

Atom Count: 53

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.219494826
Formal Charge 0
FSP3 0.65
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AYWFHDWHQHJJTK-QAQDUYKDNA-N
Lipinski's Rule of Five
Molar Refractivity 92.48
Topological Polar Surface Area 35.53
Polarizability 36.8
Ring Count 2
Rotatable Bond Count 9

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