2-(R)-Pentylsuccinic Acid 4-tert-Butyl Ester - CAS 153427-69-1
Catalog: |
BB058309 |
Product Name: |
2-(R)-Pentylsuccinic Acid 4-tert-Butyl Ester |
CAS: |
153427-69-1 |
Synonyms: |
(2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester |
IUPAC Name: | (2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]heptanoic acid |
Description: | 2-(R)-Pentylsuccinic Acid 4-tert-Butyl Ester (cas# 153427-69-1) is a compound useful in organic synthesis. |
Molecular Weight: | 244.33 |
Molecular Formula: | C13H24O4 |
Canonical SMILES: | CCCCCC(CC(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C13H24O4/c1-5-6-7-8-10(12(15)16)9-11(14)17-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,16)/t10-/m1/s1 |
InChI Key: | CQHZJKWUVXDPCX-SNVBAGLBSA-N |
Melting Point: | No data available |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow Oil |
Storage: | Refrigerator |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.16745924 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.16745924 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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