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tert-butyl N-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamate

tert-butyl N-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamate

CAS: 1219810-90-8

Formula: C16H29NO6

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

IUPAC: tert-butyl N-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamate

InChI: InChI=1S/C16H29NO6/c1-5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(18)23-16(2,3)4/h1H,6-14H2,2-4H3,(H,17,18)

Composition: C (57.99%), H (8.82%), N (4.23%), O (28.97%)

Molar Mass: 331.409

Atom Count: 52

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 331.199487658
Formal Charge 0
FSP3 0.81
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AHCBQLUQQSACBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.55
Topological Polar Surface Area 75.25
Polarizability 33.85
Ring Count 0
Rotatable Bond Count 15

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