tert-butyl N-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yloxy)carbamate

tert-butyl N-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yloxy)carbamate

CAS: 2086688-98-2

Formula: C18H33NO8

SMILES: CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCC#C

IUPAC: tert-butyl N-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yloxy)carbamate

InChI: InChI=1S/C18H33NO8/c1-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-15-16-26-19-17(20)27-18(2,3)4/h1H,6-16H2,2-4H3,(H,19,20)

Composition: C (55.23%), H (8.50%), N (3.58%), O (32.70%)

Molar Mass: 391.461

Atom Count: 60

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	391.220617027
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	YDTYROCJIYKMDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.94
Topological Polar Surface Area	93.71
Polarizability	38.98
Ring Count	0
Rotatable Bond Count	19

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