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

C13H24O4Si — CID 71567018

IUPACmethyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-10(17-11)7-8-12(14)15-4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+/m0/s1
InChIKeyMKSQTBBAPJMXIA-IAYMVZNDSA-N
MW272.42 g/mol
LogP2.50
Rot. Bonds5

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

methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate (PubChem CID 71567018) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
PubChem CID71567018
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-10(17-11)7-8-12(14)15-4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+/m0/s1
InChIKeyMKSQTBBAPJMXIA-IAYMVZNDSA-N
XLogP2.50
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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)-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
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate (CID 71567018) is methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate is COC(=O)/C=C/[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate?
The InChIKey is MKSQTBBAPJMXIA-IAYMVZNDSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(5,6)16-9-11-10(17-11)7-8-12(14)15-4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+/m0/s1.
What are the key properties of methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate?
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate has a molecular weight of 272.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 71567018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).