[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

C13H26O2Si — CID 11470545

IUPAC[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC/C=C\[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h8-9,11-12H,7,10H2,1-6H3/b9-8-/t11-,12-/m1/s1
InChIKeySAKQNQJLVSVMAI-DSWQZHNZSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds5

About [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11470545) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11470545
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC/C=C\[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h8-9,11-12H,7,10H2,1-6H3/b9-8-/t11-,12-/m1/s1
InChIKeySAKQNQJLVSVMAI-DSWQZHNZSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
CID 14633649
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11470545) is [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC/C=C\[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SAKQNQJLVSVMAI-DSWQZHNZSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h8-9,11-12H,7,10H2,1-6H3/b9-8-/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(Z)-but-1-enyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11470545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).