ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate

C16H28O5Si — CID 134844355

IUPACethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-18-13(17)9-8-11-14(20-11)15-12(21-15)10-19-22(5,6)16(2,3)4/h8-9,11-12,14-15H,7,10H2,1-6H3/b9-8+/t11-,12-,14+,15+/m0/s1
InChIKeyINYUIFMHPKUARL-GYUZVXMRSA-N
MW328.48 g/mol
LogP2.66
Rot. Bonds7

About ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate

ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate (PubChem CID 134844355) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate
PubChem CID134844355
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Nameethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-18-13(17)9-8-11-14(20-11)15-12(21-15)10-19-22(5,6)16(2,3)4/h8-9,11-12,14-15H,7,10H2,1-6H3/b9-8+/t11-,12-,14+,15+/m0/s1
InChIKeyINYUIFMHPKUARL-GYUZVXMRSA-N
XLogP2.66
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
methyl (E)-3-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]prop-2-enoate
CID 11108924
tert-butyl (Z)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 46193207
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
[(E)-3-[(2S,3R)-3-[(2R,3S)-3-[7-[tert-butyl(dimethyl)silyl]oxyhepta-1,3,5-triynyl]oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
CID 134844653
ethyl (E)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 135041456
3,4-Epoxyoct-2-enoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester
CID 5368149

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate (CID 134844355) is ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate is CCOC(=O)/C=C/[C@@H]1O[C@H]1[C@@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate?
The InChIKey is INYUIFMHPKUARL-GYUZVXMRSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-7-18-13(17)9-8-11-14(20-11)15-12(21-15)10-19-22(5,6)16(2,3)4/h8-9,11-12,14-15H,7,10H2,1-6H3/b9-8+/t11-,12-,14+,15+/m0/s1.
What are the key properties of ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate?
ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate has a molecular weight of 328.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2S,3R)-3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 134844355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).