3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane

C17H33NO3Si — CID 91394935

IUPAC3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane
SMILESCCCCc1cc[nH]c1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H33NO3Si/c1-5-9-11-16-13-14-18-17(16)12-10-15-22(19-6-2,20-7-3)21-8-4/h13-14,18H,5-12,15H2,1-4H3
InChIKeyNVXQWOOSOXEYDO-UHFFFAOYSA-N
MW327.54 g/mol
LogP4.34
Rot. Bonds13

About 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane

3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane (PubChem CID 91394935) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane
PubChem CID91394935
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Name3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane
SMILESCCCCc1cc[nH]c1CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H33NO3Si/c1-5-9-11-16-13-14-18-17(16)12-10-15-22(19-6-2,20-7-3)21-8-4/h13-14,18H,5-12,15H2,1-4H3
InChIKeyNVXQWOOSOXEYDO-UHFFFAOYSA-N
XLogP4.34
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihexadecyl-1H-pyrrole
CID 175695832
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
(2-pentyl-1H-pyrrol-3-yl)methanol
CID 67828685
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium
CID 174567261
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
azane;1H-azet-2-one;triethoxy(pentyl)silane
CID 175582558
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
triethoxy-[3-(3-methylthiophen-2-yl)propyl]silane
CID 139649676

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane?
The IUPAC name of 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane (CID 91394935) is 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane is CCCCc1cc[nH]c1CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane?
The InChIKey is NVXQWOOSOXEYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-5-9-11-16-13-14-18-17(16)12-10-15-22(19-6-2,20-7-3)21-8-4/h13-14,18H,5-12,15H2,1-4H3.
What are the key properties of 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane?
3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane has a molecular weight of 327.54 g/mol, XLogP of 4.34, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane is sourced from PubChem (CID 91394935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).