tert-butyl 20-hydroxy-3,6,9,12,15,18-hexaoxaicosanoate

tert-butyl 20-hydroxy-3,6,9,12,15,18-hexaoxaicosanoate

CAS: 297162-47-1

Formula: C18H36O9

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

IUPAC: tert-butyl 20-hydroxy-3,6,9,12,15,18-hexaoxaicosanoate

InChI: InChI=1S/C18H36O9/c1-18(2,3)27-17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h19H,4-16H2,1-3H3

Composition: C (54.53%), H (9.15%), O (36.32%)

Molar Mass: 396.477

Atom Count: 63

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	396.235932739
Formal Charge	0
FSP3	0.94
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	BHPCFQUBUVPQGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.18
Topological Polar Surface Area	101.91
Polarizability	39.57
Ring Count	0
Rotatable Bond Count	21

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