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4-{[(2S)-octan-2-yloxy]carbonyl}phenyl 4-(hexyloxy)benzoate

4-{[(2S)-octan-2-yloxy]carbonyl}phenyl 4-(hexyloxy)benzoate

CAS: 87321-20-8

Formula: C28H38O5

SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C(=O)O[C@@H](C)CCCCCC

IUPAC: 4-{[(2S)-octan-2-yloxy]carbonyl}phenyl 4-(hexyloxy)benzoate

InChI: InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1

Composition: C (73.98%), H (8.43%), O (17.60%)

Molar Mass: 454.607

Atom Count: 71

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 454.271924324
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PLGPDUBTEHIWRH-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 131.52
Topological Polar Surface Area 61.83
Polarizability 51.51
Ring Count 2
Rotatable Bond Count 17

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