17-(tert-butoxy)-17-oxoheptadecanoic acid

17-(tert-butoxy)-17-oxoheptadecanoic acid

CAS: 905302-44-5

Formula: C21H40O4

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

IUPAC: 17-(tert-butoxy)-17-oxoheptadecanoic acid

InChI: InChI=1S/C21H40O4/c1-21(2,3)25-20(24)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(22)23/h4-18H2,1-3H3,(H,22,23)

Composition: C (70.74%), H (11.31%), O (17.95%)

Molar Mass: 356.547

Atom Count: 65

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	356.292659768
Formal Charge	0
FSP3	0.9
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KCUYTEIVSXQFKX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.92
Topological Polar Surface Area	63.6
Polarizability	40.68
Ring Count	0
Rotatable Bond Count	18

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98%	<5 Days	905302-44-5		$29.00-$1,682.17$29.00$45.40$142.49$510.71$1,682.17