2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline

C17H29NOSi — CID 15835342

IUPAC2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)c1ccccc1NC
InChIInChI=1S/C17H29NOSi/c1-8-11-16(19-20(6,7)17(2,3)4)14-12-9-10-13-15(14)18-5/h8-13,16,18H,1-7H3/b11-8+
InChIKeyJPWRQGUYONKLRH-DHZHZOJOSA-N
MW291.51 g/mol
LogP5.37
Rot. Bonds5

About 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline

2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline (PubChem CID 15835342) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline
PubChem CID15835342
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Name2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)c1ccccc1NC
InChIInChI=1S/C17H29NOSi/c1-8-11-16(19-20(6,7)17(2,3)4)14-12-9-10-13-15(14)18-5/h8-13,16,18H,1-7H3/b11-8+
InChIKeyJPWRQGUYONKLRH-DHZHZOJOSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline?
The IUPAC name of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline (CID 15835342) is 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline.
What is the SMILES notation for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline?
The canonical SMILES for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline is C/C=C/C(O[Si](C)(C)C(C)(C)C)c1ccccc1NC.
What is the InChIKey of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline?
The InChIKey is JPWRQGUYONKLRH-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-8-11-16(19-20(6,7)17(2,3)4)14-12-9-10-13-15(14)18-5/h8-13,16,18H,1-7H3/b11-8+.
What are the key properties of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline?
2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline has a molecular weight of 291.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-N-methylaniline is sourced from PubChem (CID 15835342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).