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octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

CAS: 125643-61-0

Formula: C25H42O3

SMILES: CCCCCCCCOC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

IUPAC: octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

InChI: InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3

Composition: C (76.87%), H (10.84%), O (12.29%)

Molar Mass: 390.608

Atom Count: 70

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 390.313395212
Formal Charge 0
FSP3 0.72
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CFXCGWWYIDZIMU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.33
Topological Polar Surface Area 46.53
Polarizability 46.55
Ring Count 1
Rotatable Bond Count 13

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