tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate

C12H25NO2Si — CID 10538218

IUPACtert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C/[Si](C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-12(2,3)15-11(14)13-9-7-8-10-16(4,5)6/h8,10H,7,9H2,1-6H3,(H,13,14)/b10-8+
InChIKeyUAKGENYXOGGDLC-CSKARUKUSA-N
MW243.42 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate

tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate (PubChem CID 10538218) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate
PubChem CID10538218
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Nametert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C/[Si](C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-12(2,3)15-11(14)13-9-7-8-10-16(4,5)6/h8,10H,7,9H2,1-6H3,(H,13,14)/b10-8+
InChIKeyUAKGENYXOGGDLC-CSKARUKUSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
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

tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
(E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoic acid
CID 10444454
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
tert-butyl N-[(E)-4-methoxybut-3-enyl]carbamate;ethane
CID 91532071
tert-butyl N-[4-(2,6-difluoro-4-pyridinyl)but-3-enyl]carbamate
CID 170491540
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)but-3-enyl]carbamate
CID 140811934
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzene-1,3-dicarboxylic acid
CID 170491283
tert-butyl N-[4-(6-methoxypyridazin-3-yl)but-3-enyl]carbamate
CID 170490124
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-butylcarbamate;methane
CID 153346289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate (CID 10538218) is tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate is CC(C)(C)OC(=O)NCC/C=C/[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate?
The InChIKey is UAKGENYXOGGDLC-CSKARUKUSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-12(2,3)15-11(14)13-9-7-8-10-16(4,5)6/h8,10H,7,9H2,1-6H3,(H,13,14)/b10-8+.
What are the key properties of tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate?
tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate has a molecular weight of 243.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate is sourced from PubChem (CID 10538218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).