(3R-trans)-[3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester - CAS 139356-36-8
Catalog: |
BB055173 |
Product Name: |
(3R-trans)-[3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester |
CAS: |
139356-36-8 |
Synonyms: |
2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester; [(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester |
IUPAC Name: | ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate |
Description: | Used in the preparation of Vitamin D compounds. |
Molecular Weight: | 428.75 |
Molecular Formula: | C22H44O4Si2 |
Canonical SMILES: | CCOC(=O)C=C1CC(CC(C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C |
InChI: | InChI=1S/C22H44O4Si2/c1-12-24-20(23)15-17-13-18(25-27(8,9)21(2,3)4)16-19(14-17)26-28(10,11)22(5,6)7/h15,18-19H,12-14,16H2,1-11H3/t18-,19-/m1/s1 |
InChI Key: | VKHVAGVBCANCSM-RTBURBONSA-N |
Solubility: | CDCl3, CD3OD |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P203, P264, P270, P280, P301+P316, P302+P352, P316, P318, P321, P330, P361+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2018366-A1 | Hybrid molecules having mixed vitamin d receptor agonism and histone deacetylase inhibitory properties | 20060516 |
US-2010016435-A1 | Hybrid molecules having mixed vitamin d receptor agonism and histone deacetylase inhibitory properties | 20060516 |
Complexity: | 530 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 428.27781295 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 428.27781295 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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