Ethyl 3-(1,4-Dioxaspiro[4.5]decan-8-yl)propionate - CAS 1187964-14-2
Catalog: |
BB004291 |
Product Name: |
Ethyl 3-(1,4-Dioxaspiro[4.5]decan-8-yl)propionate |
CAS: |
1187964-14-2 |
Synonyms: |
3-(1,4-dioxaspiro[4.5]decan-8-yl)propanoic acid ethyl ester; ethyl 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanoate |
IUPAC Name: | ethyl 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanoate |
Description: | Ethyl 3-(1,4-Dioxaspiro[4.5]decan-8-yl)propionate (CAS# 1187964-14-2 ) is a useful research chemical. |
Molecular Weight: | 242.31 |
Molecular Formula: | C13H22O4 |
Canonical SMILES: | CCOC(=O)CCC1CCC2(CC1)OCCO2 |
InChI: | InChI=1S/C13H22O4/c1-2-15-12(14)4-3-11-5-7-13(8-6-11)16-9-10-17-13/h11H,2-10H2,1H3 |
InChI Key: | NOPBTMWPSRPLEH-UHFFFAOYSA-N |
LogP: | 2.26300 |
Publication Number | Title | Priority Date |
WO-2021018018-A1 | Degradation of bruton's tyrosine kinase (btk) by conjugation of btk inidbitors with e3 ligase ligand and methods of use | 20190726 |
KR-20130117678-A | Bicyclic heteroaryl derivatives and pharmaceutical compositions comprising the same | 20120417 |
WO-2013157792-A1 | Bicyclic heteroaryl derivative and pharmaceutical composition comprising same | 20120417 |
CA-2718551-A1 | Substituted sulfonamide derivatives | 20080317 |
US-2009253669-A1 | Substituted Sulfonamide Compounds | 20080317 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.15180918 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.15180918 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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