ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate

C16H32O5Si — CID 59127422

IUPACethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
SMILESCCOC(=O)[C@]1([C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[C@@H]1CC
InChIInChI=1S/C16H32O5Si/c1-8-12-16(20-12,14(18)19-9-2)13(10-11-17)21-22(6,7)15(3,4)5/h12-13,17H,8-11H2,1-7H3/t12-,13-,16+/m1/s1
InChIKeyRNTHIDWHQXOPCB-IOASZLSFSA-N
MW332.51 g/mol
LogP2.87
Rot. Bonds8

About ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate

ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate (PubChem CID 59127422) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
PubChem CID59127422
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Nameethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
SMILESCCOC(=O)[C@]1([C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[C@@H]1CC
InChIInChI=1S/C16H32O5Si/c1-8-12-16(20-12,14(18)19-9-2)13(10-11-17)21-22(6,7)15(3,4)5/h12-13,17H,8-11H2,1-7H3/t12-,13-,16+/m1/s1
InChIKeyRNTHIDWHQXOPCB-IOASZLSFSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
methyl (2S,3R)-3-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,3-dimethyl-6-oxooctyl]oxirane-2-carboxylate
CID 25170445
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
CID 139038790
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate
CID 162419089
ethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127493
ethyl (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127504
ethyl (2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 89112168
ethyl (2S,3S)-2-[(1S)-3-butoxy-1-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 89112202
Ethyl 2-(3-butoxy-1-hydroxypropyl)-3-ethyloxirane-2-carboxylate
CID 89112212
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]butanoate
CID 10405367
tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate
CID 10472836
diethyl (2S,3R,4S,5R,6S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dihydroxy-4-methylheptanedioate
CID 11005867

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate?
The IUPAC name of ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate (CID 59127422) is ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate?
The canonical SMILES for ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate is CCOC(=O)[C@]1([C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[C@@H]1CC.
What is the InChIKey of ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate?
The InChIKey is RNTHIDWHQXOPCB-IOASZLSFSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-12-16(20-12,14(18)19-9-2)13(10-11-17)21-22(6,7)15(3,4)5/h12-13,17H,8-11H2,1-7H3/t12-,13-,16+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate?
ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate has a molecular weight of 332.51 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate is sourced from PubChem (CID 59127422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).