tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane

C14H26O2Si — CID 12992190

IUPACtert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
SMILESC=CC1=CCO[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-12-9-10-15-13(12)11(2)16-17(6,7)14(3,4)5/h8-9,11,13H,1,10H2,2-7H3/t11-,13-/m0/s1
InChIKeyZZKJAUFUNUZRMC-AAEUAGOBSA-N
MW254.45 g/mol
LogP3.91
Rot. Bonds4

About tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane (PubChem CID 12992190) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
PubChem CID12992190
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
SMILESC=CC1=CCO[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-12-9-10-15-13(12)11(2)16-17(6,7)14(3,4)5/h8-9,11,13H,1,10H2,2-7H3/t11-,13-/m0/s1
InChIKeyZZKJAUFUNUZRMC-AAEUAGOBSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane (CID 12992190) is tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane is C=CC1=CCO[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane?
The InChIKey is ZZKJAUFUNUZRMC-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-12-9-10-15-13(12)11(2)16-17(6,7)14(3,4)5/h8-9,11,13H,1,10H2,2-7H3/t11-,13-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 12992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).