22-(tert-butoxy)-22-oxodocosanoic acid

22-(tert-butoxy)-22-oxodocosanoic acid

CAS: 1642333-05-8

Formula: C26H50O4

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

IUPAC: 22-(tert-butoxy)-22-oxodocosanoic acid

InChI: InChI=1S/C26H50O4/c1-26(2,3)30-25(29)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(27)28/h4-23H2,1-3H3,(H,27,28)

Composition: C (73.19%), H (11.81%), O (15.00%)

Molar Mass: 426.682

Atom Count: 80

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	426.37091009
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OXPWLSZVTHVKQN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.93
Topological Polar Surface Area	63.6
Polarizability	49.89
Ring Count	0
Rotatable Bond Count	23

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