tert-butyl 2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-32-oate

tert-butyl 2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-32-oate

CAS: 874208-90-9

Formula: C26H52O12

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C

IUPAC: tert-butyl 2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-32-oate

InChI: InChI=1S/C26H52O12/c1-26(2,3)38-25(27)5-6-29-9-10-31-13-14-33-17-18-35-21-22-37-24-23-36-20-19-34-16-15-32-12-11-30-8-7-28-4/h5-24H2,1-4H3

Composition: C (56.10%), H (9.42%), O (34.49%)

Molar Mass: 556.69

Atom Count: 90

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	556.345877114
Formal Charge	0
FSP3	0.96
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
InChIKey	CDAPNKYCFHFSNZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.76
Topological Polar Surface Area	118.6
Polarizability	56.47
Ring Count	0
Rotatable Bond Count	32

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