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tert-butyl 4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxahexatetracont-45-ynoate

tert-butyl 4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxahexatetracont-45-ynoate

CAS: 2055104-86-2

Formula: C36H68O16

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

IUPAC: tert-butyl 4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxahexatetracont-45-ynoate

InChI: InChI=1S/C36H68O16/c1-5-7-38-9-11-40-13-15-42-17-19-44-21-23-46-25-27-48-29-31-50-33-34-51-32-30-49-28-26-47-24-22-45-20-18-43-16-14-41-12-10-39-8-6-35(37)52-36(2,3)4/h1H,6-34H2,2-4H3

Composition: C (57.13%), H (9.06%), O (33.82%)

Molar Mass: 756.924

Atom Count: 120

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 756.45073611
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 0
InChIKey ZARGKRMZKKFQJH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 193.52
Topological Polar Surface Area 155.52
Polarizability 76.62
Ring Count 0
Rotatable Bond Count 45

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2055104-86-2 $264.60-$1,181.25$264.60$425.25$737.10$1,181.25
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