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126267-95-6

126267-95-6 | Oxaziridine, 2-methyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)- (9CI)

CAS No: 126267-95-6 Catalog No: AG000SG4 MDL No:

Product Description

Catalog Number:
AG000SG4
Chemical Name:
Oxaziridine, 2-methyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)- (9CI)
CAS Number:
126267-95-6
Molecular Formula:
C32H55NO
Molecular Weight:
469.7852
IUPAC Name:
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
InChI:
InChI=1S/C30H50.C2H5NO/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-3-2-4-3/h15-18,23-24H,9-14,19-22H2,1-8H3;2H2,1H3
InChI Key:
BGVFNPALTGKZQC-UHFFFAOYSA-N
SMILES:
C/C(=C\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C.CN1OC1

Properties

Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.428g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.798g/mol
Monoisotopic Mass:
469.428g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
15.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4  

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