ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
Basic information
- CAS
139356-36-8- Standard SMILES
CCOC(=O)C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1- InChIKey
VKHVAGVBCANCSM-RTBURBONSA-N- Molecular formula
- C22H44O4Si2
- Average molar mass
- 428.8 g/mol
- Monoisotopic mass
- 428.27781295
Names & identifiers
- Preferred name
- ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
- IUPAC
- ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
- English name
- (3R-trans)-[3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester
- Molecular formula
- C22H44O4Si2
- Molecular weight
- 428.75
Names & synonyms
139356-36-8ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetateDTXSID70431362RefChem:594060DTXCID80382194(3R-trans)-[3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Estertrans-[3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-acetic acid ethyl ester2-[(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 EsterSCHEMBL13531907Ethyl 2-((3R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)cyclohexylidene)acetateDB-257688Ethyl [(3R,5R)-3,5-bis{[tert-butyldi(methyl)silyl]oxy}cyclohexylidene]acetate
Show more names
[(3R,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]cy[(3R,5R)-3,5-bis-(tert-butyldimethylsilyloxy)cyclohexylidene]acetic acid ethyl ester2-[(3R,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl EsterAcetic acid, 2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-, ethyl ester
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- solubility
- 3 · CDCl3, CD3OD
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 361 · H361-H311-H300
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P262, P264, P270, P280, P301+P316, P302+P352, P316, P318, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H361-H311-H300
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Uses(3R-trans)-[3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexylidene]-acetic Acid Ethyl Ester is used in the preparation of Vitamin D compounds.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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