| CAS Number | 355803-78-0 |
| Catalog Number | AG00C95Q(AGN-PC-05J37S) |
| Chemical Name | Ethyl 3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiranedecanoate |
| IUPAC Name | ethyl 10-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]decanoate |
| InChI | InChI=1S/C22H40O4/c1-3-5-11-14-18-20(25-18)17-21-19(26-21)15-12-9-7-6-8-10-13-16-22(23)24-4-2/h18-21H,3-17H2,1-2H3 |
| InChI Key | PEZIQWVKZYIKRH-UHFFFAOYSA-N |
| MDL Number | MFCD01863387 |
| Molecular Formula | C22H40O4 |
| Molecular Weight | 368.5506 |
| SMILES | O=C(CCCCCCCCCC1OC1CC2OC2CCCCC)OCC |
| Synonyms | Ethyl 11,14-Diepoxyeicosanoate,
355803-78-0,
2-Oxiranedecanoic acid,3-[(3-pentyl-2-oxiranyl)methyl]-, ethyl ester,
AC1N4DXL,
CTK4H4817,
DTXSID00400001,
Ethyl 10-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]decanoate,
AKOS030255769,
11,14-Diepoxyeicosanoic acid ethyl ester,
ACM355803780,
RT-012524,
FT-0668221,
3-[(3-Pentyloxiranyl)methyl]oxiranedecanoic Acid Ethyl Ester,
3-[(3-Pentyl-2-oxiranyl)methyl]-2-oxiranedecanoic Acid Ethyl Ester,
Ethyl11,14-Diepoxyeicosanoate,
CID4153961,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.558g/mol |
| Monoisotopic Mass | 368.293g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 51.4A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
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Certificate of Analysis
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