diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane

C14H27NO2Si — CID 91419516

IUPACdiethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
SMILESCCO[Si](C)(CCCc1cccn1CC)OCC
InChIInChI=1S/C14H27NO2Si/c1-5-15-12-8-10-14(15)11-9-13-18(4,16-6-2)17-7-3/h8,10,12H,5-7,9,11,13H2,1-4H3
InChIKeyLISHGDUXZFUNPY-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.59
Rot. Bonds9

About diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane

diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane (PubChem CID 91419516) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
PubChem CID91419516
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Namediethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
SMILESCCO[Si](C)(CCCc1cccn1CC)OCC
InChIInChI=1S/C14H27NO2Si/c1-5-15-12-8-10-14(15)11-9-13-18(4,16-6-2)17-7-3/h8,10,12H,5-7,9,11,13H2,1-4H3
InChIKeyLISHGDUXZFUNPY-UHFFFAOYSA-N
XLogP3.59
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
CID 57015300
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
diethoxy-methyl-[3-(1-trimethylsilylimidazol-2-yl)propyl]silane
CID 66838457
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
CID 45088335
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
CID 90172780
1-(bromomethyl)-2-hexylpyrrole
CID 175000826
N-ethyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 100590167
diethoxy-methyl-undecylsilane
CID 140884401
2-bromo-1-ethylpyrrole
CID 46863932
(1-ethylpyrrol-2-yl)methyl acetate
CID 54371883
diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096

Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane?
The IUPAC name of diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane (CID 91419516) is diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane.
What is the SMILES notation for diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane?
The canonical SMILES for diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane is CCO[Si](C)(CCCc1cccn1CC)OCC.
What is the InChIKey of diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane?
The InChIKey is LISHGDUXZFUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-5-15-12-8-10-14(15)11-9-13-18(4,16-6-2)17-7-3/h8,10,12H,5-7,9,11,13H2,1-4H3.
What are the key properties of diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane?
diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane has a molecular weight of 269.46 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane is sourced from PubChem (CID 91419516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).