Text Search
Structure Search

tert-butyl 1-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

tert-butyl 1-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

CAS: 1611497-11-0

Formula: C38H68O17S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C

IUPAC: tert-butyl 1-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

InChI: InChI=1S/C38H68O17S/c1-35-5-7-36(8-6-35)56(40,41)54-34-33-53-32-31-52-30-29-51-28-27-50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-13-43-12-11-42-10-9-37(39)55-38(2,3)4/h5-8H,9-34H2,1-4H3

Composition: C (55.06%), H (8.27%), O (32.81%), S (3.87%)

Molar Mass: 829.01

Atom Count: 124

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 828.417721904
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 0
InChIKey QAXTZBHTNDEGSI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 208.08
Topological Polar Surface Area 180.43
Polarizability 83.32
Ring Count 1
Rotatable Bond Count 43

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1611497-11-0 $264.60-$708.75$264.60$453.60$708.75
Request Quote