1-tert-butyl 2,5-dioxopyrrolidin-1-yl octadecanedioate

1-tert-butyl 2,5-dioxopyrrolidin-1-yl octadecanedioate

CAS: 843666-34-2

Formula: C26H45NO6

SMILES: CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O

IUPAC: 1-tert-butyl 2,5-dioxopyrrolidin-1-yl octadecanedioate

InChI: InChI=1S/C26H45NO6/c1-26(2,3)32-24(30)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25(31)33-27-22(28)20-21-23(27)29/h4-21H2,1-3H3

Composition: C (66.78%), H (9.70%), N (3.00%), O (20.53%)

Molar Mass: 467.647

Atom Count: 78

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	467.324688173
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JTOVMMPSILRQQJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.08
Topological Polar Surface Area	89.98
Polarizability	50.72
Ring Count	1
Rotatable Bond Count	21

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