2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane

C14H27NOSi — CID 13211466

IUPAC2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCCCc1cccn1COCC[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-5-6-8-14-9-7-10-15(14)13-16-11-12-17(2,3)4/h7,9-10H,5-6,8,11-13H2,1-4H3
InChIKeyLBAQNXUCQQAZMG-UHFFFAOYSA-N
MW253.46 g/mol
LogP4.14
Rot. Bonds8

About 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 13211466) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID13211466
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCCCc1cccn1COCC[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-5-6-8-14-9-7-10-15(14)13-16-11-12-17(2,3)4/h7,9-10H,5-6,8,11-13H2,1-4H3
InChIKeyLBAQNXUCQQAZMG-UHFFFAOYSA-N
XLogP4.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane
CID 166517472
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
trimethyl-[2-[(3-tributylstannylindol-1-yl)methoxy]ethyl]silane
CID 177464058
2-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
1-(bromomethyl)-2-hexylpyrrole
CID 175000826
diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
CID 91419516
trimethyl-[2-[(5-tributylstannylimidazol-1-yl)methoxy]ethyl]silane
CID 171532445
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11991095
2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 140692585
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane (CID 13211466) is 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane is CCCCc1cccn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LBAQNXUCQQAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-5-6-8-14-9-7-10-15(14)13-16-11-12-17(2,3)4/h7,9-10H,5-6,8,11-13H2,1-4H3.
What are the key properties of 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 253.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 13211466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).