18-(tert-butoxy)-18-oxooctadecanoic acid

18-(tert-butoxy)-18-oxooctadecanoic acid

CAS: 843666-40-0

Formula: C22H42O4

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

IUPAC: 18-(tert-butoxy)-18-oxooctadecanoic acid

InChI: InChI=1S/C22H42O4/c1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24/h4-19H2,1-3H3,(H,23,24)

Composition: C (71.31%), H (11.42%), O (17.27%)

Molar Mass: 370.574

Atom Count: 68

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	370.308309832
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WDUQJXKBWRNMKI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.53
Topological Polar Surface Area	63.6
Polarizability	42.52
Ring Count	0
Rotatable Bond Count	19

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