tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane

C13H26O2Si — CID 10657823

IUPACtert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
SMILESC=C[C@@H]1O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11-12(15-11)10(2)9-14-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11-,12+/m0/s1
InChIKeyKRWKFXNQUXHESA-SDDRHHMPSA-N
MW242.43 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane

tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane (PubChem CID 10657823) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
PubChem CID10657823
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
SMILESC=C[C@@H]1O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11-12(15-11)10(2)9-14-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11-,12+/m0/s1
InChIKeyKRWKFXNQUXHESA-SDDRHHMPSA-N
XLogP3.60
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 ≤ 53.60
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

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
(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 14525993
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
tert-butyl-[3-[(2R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 88485818
tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
CID 10514330
tert-butyl-[(2R)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10538154
tert-butyl-[(2R)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10562166
tert-butyl-[(2S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10586277
tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
CID 11021085
tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 11064587
tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 11148901

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane (CID 10657823) is tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane is C=C[C@@H]1O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
The InChIKey is KRWKFXNQUXHESA-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-11-12(15-11)10(2)9-14-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t10-,11-,12+/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane?
tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 10657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).