triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane

C13H22OSSi — CID 11977276

IUPACtriethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane
SMILESC=C[C@H](O[Si](CC)(CC)CC)c1ccsc1
InChIInChI=1S/C13H22OSSi/c1-5-13(12-9-10-15-11-12)14-16(6-2,7-3)8-4/h5,9-11,13H,1,6-8H2,2-4H3/t13-/m0/s1
InChIKeyAEPPCOSOAHUWFS-ZDUSSCGKSA-N
MW254.47 g/mol
LogP5.00
Rot. Bonds7

About triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane

triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane (PubChem CID 11977276) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane
PubChem CID11977276
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Nametriethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane
SMILESC=C[C@H](O[Si](CC)(CC)CC)c1ccsc1
InChIInChI=1S/C13H22OSSi/c1-5-13(12-9-10-15-11-12)14-16(6-2,7-3)8-4/h5,9-11,13H,1,6-8H2,2-4H3/t13-/m0/s1
InChIKeyAEPPCOSOAHUWFS-ZDUSSCGKSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 55.00
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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane?
The IUPAC name of triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane (CID 11977276) is triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane.
What is the SMILES notation for triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane?
The canonical SMILES for triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane is C=C[C@H](O[Si](CC)(CC)CC)c1ccsc1.
What is the InChIKey of triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane?
The InChIKey is AEPPCOSOAHUWFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-5-13(12-9-10-15-11-12)14-16(6-2,7-3)8-4/h5,9-11,13H,1,6-8H2,2-4H3/t13-/m0/s1.
What are the key properties of triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane?
triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane has a molecular weight of 254.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S)-1-thiophen-3-ylprop-2-enoxy]silane is sourced from PubChem (CID 11977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).