1,31-di-tert-butyl 4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

1,31-di-tert-butyl 4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

CAS: 2055041-41-1

Formula: C30H59NO12

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

IUPAC: 1,31-di-tert-butyl 4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate

InChI: InChI=1S/C30H59NO12/c1-29(2,3)42-27(32)7-11-34-15-19-38-23-25-40-21-17-36-13-9-31-10-14-37-18-22-41-26-24-39-20-16-35-12-8-28(33)43-30(4,5)6/h31H,7-26H2,1-6H3

Composition: C (57.58%), H (9.50%), N (2.24%), O (30.68%)

Molar Mass: 625.797

Atom Count: 102

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	625.403726344
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
InChIKey	ZNEKZIKFKNVSRU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	161.76
Topological Polar Surface Area	138.47
Polarizability	64.71
Ring Count	0
Rotatable Bond Count	34

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