tert-butyl N-(3,6,9,12,15,18-hexaoxahenicos-20-yn-1-yloxy)carbamate

tert-butyl N-(3,6,9,12,15,18-hexaoxahenicos-20-yn-1-yloxy)carbamate

CAS: 2093152-83-9

Formula: C20H37NO9

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

IUPAC: tert-butyl N-(3,6,9,12,15,18-hexaoxahenicos-20-yn-1-yloxy)carbamate

InChI: InChI=1S/C20H37NO9/c1-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-21-19(22)30-20(2,3)4/h1H,6-18H2,2-4H3,(H,21,22)

Composition: C (55.16%), H (8.56%), N (3.22%), O (33.06%)

Molar Mass: 435.514

Atom Count: 67

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	435.246831775
Formal Charge	0
FSP3	0.85
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	DQTCIKPJPWPYEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.98
Topological Polar Surface Area	102.94
Polarizability	43.37
Ring Count	0
Rotatable Bond Count	22

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