| CAS Number | 10228-99-6 |
| Catalog Number | AG00073M(AGN-PC-003JRP) |
| Chemical Name | Ethyl 4,4-dimethylpentanoate |
| IUPAC Name | ethyl 4,4-dimethylpentanoate |
| InChI | InChI=1S/C9H18O2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3 |
| InChI Key | PUJGGPCGKBGBAD-UHFFFAOYSA-N |
| MDL Number | MFCD16620942 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CCOC(CCC(C)(C)C)=O |
| Synonyms | ethyl 4,4-dimethylpentanoate,
10228-99-6,
Pentanoic acid, 4,4-dimethyl-, ethyl ester,
SCHEMBL3368077,
CTK0G7684,
DTXSID10567614,
MFCD16620942,
ZINC34447596,
AKOS030524915,
4,4-Dimethylpentanoic acid ethyl ester,
DA-16225,
FT-0732356,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number