tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate

C13H27NO2Si — CID 102355515

IUPACtert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate
SMILESCN(C/C=C/C[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-13(2,3)16-12(15)14(4)10-8-9-11-17(5,6)7/h8-9H,10-11H2,1-7H3/b9-8+
InChIKeyBXWNLGNFCIPSAU-CMDGGOBGSA-N
MW257.45 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate

tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate (PubChem CID 102355515) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate
PubChem CID102355515
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Nametert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate
SMILESCN(C/C=C/C[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-13(2,3)16-12(15)14(4)10-8-9-11-17(5,6)7/h8-9H,10-11H2,1-7H3/b9-8+
InChIKeyBXWNLGNFCIPSAU-CMDGGOBGSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate (CID 102355515) is tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate is CN(C/C=C/C[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate?
The InChIKey is BXWNLGNFCIPSAU-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-13(2,3)16-12(15)14(4)10-8-9-11-17(5,6)7/h8-9H,10-11H2,1-7H3/b9-8+.
What are the key properties of tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate?
tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate has a molecular weight of 257.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(E)-4-trimethylsilylbut-2-enyl]carbamate is sourced from PubChem (CID 102355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).