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tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oate

tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oate

CAS: 2055042-66-3

Formula: C25H50O12

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-30-oate

InChI: InChI=1S/C25H50O12/c1-25(2,3)37-24(27)4-6-28-8-10-30-12-14-32-16-18-34-20-22-36-23-21-35-19-17-33-15-13-31-11-9-29-7-5-26/h26H,4-23H2,1-3H3

Composition: C (55.33%), H (9.29%), O (35.38%)

Molar Mass: 542.663

Atom Count: 87

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 542.33022705
Formal Charge 0
FSP3 0.96
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 1
InChIKey TUSKJPQJBQMEPV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 137.01
Topological Polar Surface Area 129.6
Polarizability 54.58
Ring Count 0
Rotatable Bond Count 31

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