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tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

CAS: 2388521-20-61186025-29-5

Formula: C31H62O15

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: tert-butyl 1-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate

InChI: InChI=1S/C31H62O15/c1-31(2,3)46-30(33)4-6-34-8-10-36-12-14-38-16-18-40-20-22-42-24-26-44-28-29-45-27-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-32/h32H,4-29H2,1-3H3

Composition: C (55.18%), H (9.26%), O (35.56%)

Molar Mass: 674.822

Atom Count: 108

Heavy Atom Count: 46

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 674.408871296
Formal Charge 0
FSP3 0.97
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 1
InChIKey UOOVFHUCPREVAH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 170.14
Topological Polar Surface Area 157.29
Polarizability 67.75
Ring Count 0
Rotatable Bond Count 40

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