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100208-31-9 | 2-Oxiraneoctanoic acid, 3-[[3-[(3-ethyl-2-oxiranyl)methyl]-2-oxiranyl]methyl]-, hexyl ester
CAS No: 100208-31-9 Catalog No: AG00019S MDL No:
Product Description
Catalog Number:
AG00019S
Chemical Name:
2-Oxiraneoctanoic acid, 3-[[3-[(3-ethyl-2-oxiranyl)methyl]-2-oxiranyl]methyl]-, hexyl ester
CAS Number:
100208-31-9
Molecular Formula:
C24H42O5
Molecular Weight:
410.5873
IUPAC Name:
hexyl 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate
InChI:
InChI=1S/C24H42O5/c1-3-5-6-12-15-26-24(25)14-11-9-7-8-10-13-19-21(28-19)17-23-22(29-23)16-20-18(4-2)27-20/h18-23H,3-17H2,1-2H3
InChI Key:
ODDDMQMTMZOLCZ-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CCCCCCCC1OC1CC1OC1CC1OC1CC
EC Number:
309-231-4
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.303g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.595g/mol
Monoisotopic Mass:
410.303g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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