diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate

C17H32O5Si — CID 11782898

IUPACdiethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
SMILESC=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O5Si/c1-9-12-13(15(18)20-10-2)14(16(19)21-11-3)22-23(7,8)17(4,5)6/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1
InChIKeyZJUPRZYEVDKVMV-ZIAGYGMSSA-N
MW344.52 g/mol
LogP3.70
Rot. Bonds9

About diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate

diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate (PubChem CID 11782898) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
PubChem CID11782898
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namediethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
SMILESC=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O5Si/c1-9-12-13(15(18)20-10-2)14(16(19)21-11-3)22-23(7,8)17(4,5)6/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1
InChIKeyZJUPRZYEVDKVMV-ZIAGYGMSSA-N
XLogP3.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
ethyl (2R)-2-tert-butylpent-4-enoate
CID 98010160

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The IUPAC name of diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate (CID 11782898) is diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate.
What is the SMILES notation for diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The canonical SMILES for diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate is C=CC[C@@H](C(=O)OCC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
The InChIKey is ZJUPRZYEVDKVMV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-9-12-13(15(18)20-10-2)14(16(19)21-11-3)22-23(7,8)17(4,5)6/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1.
What are the key properties of diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate?
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate has a molecular weight of 344.52 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate is sourced from PubChem (CID 11782898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).