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116945-42-7

116945-42-7 | Oxetane, 3,3'-[1,4-butanediylbis(oxymethylene)]bis[3-methyl- (9CI)

CAS No: 116945-42-7 Catalog No: AG000DF9 MDL No:

Product Description

Catalog Number:
AG000DF9
Chemical Name:
Oxetane, 3,3'-[1,4-butanediylbis(oxymethylene)]bis[3-methyl- (9CI)
CAS Number:
116945-42-7
Molecular Formula:
C14H26O4
Molecular Weight:
258.3538
IUPAC Name:
3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane
InChI:
InChI=1S/C14H26O4/c1-13(9-17-10-13)7-15-5-3-4-6-16-8-14(2)11-18-12-14/h3-12H2,1-2H3
InChI Key:
KJHMODNULYGLND-UHFFFAOYSA-N
SMILES:
CC1(COCCCCOCC2(C)COC2)COC1

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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