[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C14H27NO4Si — CID 101221451

IUPAC[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-11(8-9-20(5,6)7)18-12(16)10-15-13(17)19-14(2,3)4/h8-9,11H,10H2,1-7H3,(H,15,17)/b9-8+
InChIKeyCUPGDZUQQYAPLU-CMDGGOBGSA-N
MW301.46 g/mol
LogP2.88
Rot. Bonds5

About [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 101221451) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID101221451
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Name[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-11(8-9-20(5,6)7)18-12(16)10-15-13(17)19-14(2,3)4/h8-9,11H,10H2,1-7H3,(H,15,17)/b9-8+
InChIKeyCUPGDZUQQYAPLU-CMDGGOBGSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 101221451) is [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is CUPGDZUQQYAPLU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-11(8-9-20(5,6)7)18-12(16)10-15-13(17)19-14(2,3)4/h8-9,11H,10H2,1-7H3,(H,15,17)/b9-8+.
What are the key properties of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 301.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 101221451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).