1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane

C18H27NOSi — CID 171058482

IUPAC1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)c1c(C)c2ccccc2n1CCCC
InChIInChI=1S/C18H27NOSi/c1-7-8-13-19-17-12-10-9-11-16(17)14(2)18(19)15(3)20-21(4,5)6/h9-12H,3,7-8,13H2,1-2,4-6H3
InChIKeyKLIKGBYWQUYBPR-UHFFFAOYSA-N
MW301.51 g/mol
LogP5.57
Rot. Bonds6

About 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane

1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane (PubChem CID 171058482) has the molecular formula C18H27NOSi and a molecular weight of 301.51 g/mol. Its IUPAC name is 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane.

Molecular Properties

Compound Name1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane
PubChem CID171058482
Molecular FormulaC18H27NOSi
Molecular Weight301.51 g/mol
Exact Mass301.19
IUPAC Name1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)c1c(C)c2ccccc2n1CCCC
InChIInChI=1S/C18H27NOSi/c1-7-8-13-19-17-12-10-9-11-16(17)14(2)18(19)15(3)20-21(4,5)6/h9-12H,3,7-8,13H2,1-2,4-6H3
InChIKeyKLIKGBYWQUYBPR-UHFFFAOYSA-N
XLogP5.57
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(1-butyl-3-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110498687
1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide
CID 110498665
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
CID 110497281

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane?
The IUPAC name of 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane (CID 171058482) is 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane.
What is the SMILES notation for 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane?
The canonical SMILES for 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane is C=C(O[Si](C)(C)C)c1c(C)c2ccccc2n1CCCC.
What is the InChIKey of 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane?
The InChIKey is KLIKGBYWQUYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOSi/c1-7-8-13-19-17-12-10-9-11-16(17)14(2)18(19)15(3)20-21(4,5)6/h9-12H,3,7-8,13H2,1-2,4-6H3.
What are the key properties of 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane?
1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane has a molecular weight of 301.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-3-methylindol-2-yl)ethenoxy-trimethylsilane is sourced from PubChem (CID 171058482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).