Ethyl 3-(1-adamantyl)-3-oxopropionate - CAS 19386-06-2
Catalog: |
BB015019 |
Product Name: |
Ethyl 3-(1-adamantyl)-3-oxopropionate |
CAS: |
19386-06-2 |
Synonyms: |
ethyl 3-(1-adamantyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(1-adamantyl)-3-oxopropanoate |
Description: | Ethyl 3-(1-adamantyl)-3-oxopropionate (CAS# 19386-06-2) is a useful research chemical. |
Molecular Weight: | 250.33 |
Molecular Formula: | C15H22O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C12CC3CC(C1)CC(C3)C2 |
InChI: | InChI=1S/C15H22O3/c1-2-18-14(17)6-13(16)15-7-10-3-11(8-15)5-12(4-10)9-15/h10-12H,2-9H2,1H3 |
InChI Key: | FOISHGXCIBGQJU-UHFFFAOYSA-N |
Boiling Point: | 357.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.037 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00074741 |
LogP: | 2.72510 |
Publication Number | Title | Priority Date |
WO-2020118116-A1 | Heterocyclyl polymethine ir chromophores | 20181205 |
EP-3891224-A1 | Heterocyclyl polymethine ir chromophores | 20181205 |
AU-2012319143-A1 | Geranylgeranylacetone derivatives | 20111004 |
EP-2763949-A1 | Geranylgeranylacetone derivatives | 20111004 |
JP-2014530810-A | Geranylgeranylacetone derivatives | 20111004 |
PMID | Publication Date | Title | Journal |
15598427 | 20041201 | Novel adamantylated pyrimidines and their preliminary biological evaluations | Farmaco (Societa chimica italiana : 1989) |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.15689456 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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