triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane

C12H23NO3Si — CID 174857593

IUPACtriethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane
SMILESCCO[Si](CCc1cc[nH]c1)(OCC)OCC
InChIInChI=1S/C12H23NO3Si/c1-4-14-17(15-5-2,16-6-3)10-8-12-7-9-13-11-12/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyUMCLCFXTHRXTSF-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.61
Rot. Bonds9

About triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane

triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane (PubChem CID 174857593) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane
PubChem CID174857593
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Nametriethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane
SMILESCCO[Si](CCc1cc[nH]c1)(OCC)OCC
InChIInChI=1S/C12H23NO3Si/c1-4-14-17(15-5-2,16-6-3)10-8-12-7-9-13-11-12/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyUMCLCFXTHRXTSF-UHFFFAOYSA-N
XLogP2.61
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane?
The IUPAC name of triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane (CID 174857593) is triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane is CCO[Si](CCc1cc[nH]c1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane?
The InChIKey is UMCLCFXTHRXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-4-14-17(15-5-2,16-6-3)10-8-12-7-9-13-11-12/h7,9,11,13H,4-6,8,10H2,1-3H3.
What are the key properties of triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane?
triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane has a molecular weight of 257.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane is sourced from PubChem (CID 174857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).