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

C22H26O3Si — CID 15807828

IUPACmethyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O3Si/c1-22(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-19(25-21)15-16-20(23)24-4/h5-16,19,21H,1-4H3/b16-15+/t19-,21-/m0/s1
InChIKeyARNLSCDELWKSJK-YWBNNAAISA-N
MW366.53 g/mol
LogP3.09
Rot. Bonds5

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

methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate (PubChem CID 15807828) has the molecular formula C22H26O3Si and a molecular weight of 366.53 g/mol. Its IUPAC name is methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
PubChem CID15807828
Molecular FormulaC22H26O3Si
Molecular Weight366.53 g/mol
Exact Mass366.17
IUPAC Namemethyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O3Si/c1-22(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-19(25-21)15-16-20(23)24-4/h5-16,19,21H,1-4H3/b16-15+/t19-,21-/m0/s1
InChIKeyARNLSCDELWKSJK-YWBNNAAISA-N
XLogP3.09
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane
CID 102426679
methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
CID 11041861
methyl 3-[(4R,5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]prop-2-enoate
CID 91478787
methyl (E)-3-[(4S,5S)-2-oxo-5-(phenylmethoxymethyl)-1,3,2-dioxathiolan-4-yl]prop-2-enoate
CID 10380794
methyl (E)-3-[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-enoate
CID 10940093
methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 10835513
methyl (E)-3-[(2R,3S)-2-benzoyl-3-methylcyclopropyl]prop-2-enoate
CID 46220993
methyl (E)-3-[(4S,5R)-2-phenyl-5-tri(propan-2-yl)silyloxy-1,3-dioxan-4-yl]prop-2-enoate
CID 59558876
methyl (E,5S)-5-[dimethyl(phenyl)silyl]-7-oxohept-2-enoate
CID 11011733
methyl (E)-3-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]prop-2-enoate
CID 10561491
(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde
CID 11160053
methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
CID 11310192

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate (CID 15807828) is methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate is COC(=O)/C=C/[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate?
The InChIKey is ARNLSCDELWKSJK-YWBNNAAISA-N. The full InChI is InChI=1S/C22H26O3Si/c1-22(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21-19(25-21)15-16-20(23)24-4/h5-16,19,21H,1-4H3/b16-15+/t19-,21-/m0/s1.
What are the key properties of methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate?
methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate has a molecular weight of 366.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 15807828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).