[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate

C15H26O4Si — CID 46187582

IUPAC[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate
SMILESC=CC(=O)O[C@@H]([C@@H](C=C)O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C15H26O4Si/c1-8-11(19-20(6,7)15(3,4)5)14(12-10-17-12)18-13(16)9-2/h8-9,11-12,14H,1-2,10H2,3-7H3/t11-,12-,14+/m1/s1
InChIKeyTYGOWLGGYINTES-BZPMIXESSA-N
MW298.46 g/mol
LogP3.06
Rot. Bonds7

About [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate

[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate (PubChem CID 46187582) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate
PubChem CID46187582
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate
SMILESC=CC(=O)O[C@@H]([C@@H](C=C)O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C15H26O4Si/c1-8-11(19-20(6,7)15(3,4)5)14(12-10-17-12)18-13(16)9-2/h8-9,11-12,14H,1-2,10H2,3-7H3/t11-,12-,14+/m1/s1
InChIKeyTYGOWLGGYINTES-BZPMIXESSA-N
XLogP3.06
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
methyl (E)-3-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]prop-2-enoate
CID 11108924
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 46854982
1-[2-(Tert-butyldimethylsilanyloxy)ethyl]-2-(2-methoxyethoxymethoxy)but-3-enylester
CID 46894691
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-4-en-2-yl] prop-2-enoate
CID 101839469
(5R,6R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-1,4-dioxan-2-one
CID 134964716
ethyl (E)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 135041456

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate?
The IUPAC name of [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate (CID 46187582) is [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate.
What is the SMILES notation for [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate?
The canonical SMILES for [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate is C=CC(=O)O[C@@H]([C@@H](C=C)O[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate?
The InChIKey is TYGOWLGGYINTES-BZPMIXESSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-8-11(19-20(6,7)15(3,4)5)14(12-10-17-12)18-13(16)9-2/h8-9,11-12,14H,1-2,10H2,3-7H3/t11-,12-,14+/m1/s1.
What are the key properties of [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate?
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate has a molecular weight of 298.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate is sourced from PubChem (CID 46187582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).