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tert-butyl 4,7,10,13-tetraoxahexadec-15-ynoate

tert-butyl 4,7,10,13-tetraoxahexadec-15-ynoate

CAS: 1355197-66-8

Formula: C16H28O6

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

IUPAC: tert-butyl 4,7,10,13-tetraoxahexadec-15-ynoate

InChI: InChI=1S/C16H28O6/c1-5-7-18-9-11-20-13-14-21-12-10-19-8-6-15(17)22-16(2,3)4/h1H,6-14H2,2-4H3

Composition: C (60.74%), H (8.92%), O (30.34%)

Molar Mass: 316.394

Atom Count: 50

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 316.188588622
Formal Charge 0
FSP3 0.81
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey BEQLPTKRFULADF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.08
Topological Polar Surface Area 63.22
Polarizability 32.69
Ring Count 0
Rotatable Bond Count 15

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