[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane

C22H34O2Si — CID 154712273

IUPAC[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@](C)(c1cc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C22H34O2Si/c1-5-25(6-2,7-3)24-22(4,19-14-9-8-10-15-19)21-17-18-13-11-12-16-20(18)23-21/h11-13,16-17,19H,5-10,14-15H2,1-4H3/t22-/m0/s1
InChIKeyJZHOWAKQCJSOIH-QFIPXVFZSA-N
MW358.60 g/mol
LogP7.25
Rot. Bonds7

About [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane

[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane (PubChem CID 154712273) has the molecular formula C22H34O2Si and a molecular weight of 358.60 g/mol. Its IUPAC name is [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane.

Molecular Properties

Compound Name[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane
PubChem CID154712273
Molecular FormulaC22H34O2Si
Molecular Weight358.60 g/mol
Exact Mass358.23
IUPAC Name[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@](C)(c1cc2ccccc2o1)C1CCCCC1
InChIInChI=1S/C22H34O2Si/c1-5-25(6-2,7-3)24-22(4,19-14-9-8-10-15-19)21-17-18-13-11-12-16-20(18)23-21/h11-13,16-17,19H,5-10,14-15H2,1-4H3/t22-/m0/s1
InChIKeyJZHOWAKQCJSOIH-QFIPXVFZSA-N
XLogP7.25
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 57.25
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 [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane?
The IUPAC name of [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane (CID 154712273) is [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane.
What is the SMILES notation for [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane?
The canonical SMILES for [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane is CC[Si](CC)(CC)O[C@](C)(c1cc2ccccc2o1)C1CCCCC1.
What is the InChIKey of [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane?
The InChIKey is JZHOWAKQCJSOIH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H34O2Si/c1-5-25(6-2,7-3)24-22(4,19-14-9-8-10-15-19)21-17-18-13-11-12-16-20(18)23-21/h11-13,16-17,19H,5-10,14-15H2,1-4H3/t22-/m0/s1.
What are the key properties of [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane?
[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane has a molecular weight of 358.60 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane is sourced from PubChem (CID 154712273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).