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

C13H25NO3Si — CID 69279412

IUPACtriethoxy-[3-(1H-pyrrol-2-yl)propyl]silane
SMILESCCO[Si](CCCc1ccc[nH]1)(OCC)OCC
InChIInChI=1S/C13H25NO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10-13-9-7-11-14-13/h7,9,11,14H,4-6,8,10,12H2,1-3H3
InChIKeyHVZGXMITFKZXAL-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.00
Rot. Bonds10

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

triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane (PubChem CID 69279412) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1H-pyrrol-2-yl)propyl]silane
PubChem CID69279412
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nametriethoxy-[3-(1H-pyrrol-2-yl)propyl]silane
SMILESCCO[Si](CCCc1ccc[nH]1)(OCC)OCC
InChIInChI=1S/C13H25NO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10-13-9-7-11-14-13/h7,9,11,14H,4-6,8,10,12H2,1-3H3
InChIKeyHVZGXMITFKZXAL-UHFFFAOYSA-N
XLogP3.00
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.00
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-[3-(1H-pyrrol-2-yl)propyl]silane?
The IUPAC name of triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane (CID 69279412) is triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane?
The canonical SMILES for triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane is CCO[Si](CCCc1ccc[nH]1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane?
The InChIKey is HVZGXMITFKZXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-4-15-18(16-5-2,17-6-3)12-8-10-13-9-7-11-14-13/h7,9,11,14H,4-6,8,10,12H2,1-3H3.
What are the key properties of triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane?
triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane has a molecular weight of 271.43 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1H-pyrrol-2-yl)propyl]silane is sourced from PubChem (CID 69279412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).