[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C13H25NO4Si — CID 11426223

IUPAC[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C/[Si](C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-10-11(15)17-8-7-9-19(4,5)6/h7,9H,8,10H2,1-6H3,(H,14,16)/b9-7+
InChIKeyZNTFFFDSSCOYRO-VQHVLOKHSA-N
MW287.43 g/mol
LogP2.49
Rot. Bonds5

About [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 11426223) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID11426223
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C/[Si](C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-10-11(15)17-8-7-9-19(4,5)6/h7,9H,8,10H2,1-6H3,(H,14,16)/b9-7+
InChIKeyZNTFFFDSSCOYRO-VQHVLOKHSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate
CID 10538218
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906

Frequently Asked Questions

What is the IUPAC name of [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 11426223) is [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OC/C=C/[Si](C)(C)C.
What is the InChIKey of [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ZNTFFFDSSCOYRO-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-10-11(15)17-8-7-9-19(4,5)6/h7,9H,8,10H2,1-6H3,(H,14,16)/b9-7+.
What are the key properties of [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 287.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 11426223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).