ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate

C14H27NO5Si — CID 174958071

IUPACethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
SMILESC=COC(=O)NCCC.C=COC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C8H16O3Si.C6H11NO2/c1-5-10-8(9)11-6-7-12(2,3)4;1-3-5-7-6(8)9-4-2/h5H,1,6-7H2,2-4H3;4H,2-3,5H2,1H3,(H,7,8)
InChIKeyPXJSESPZULIJLY-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.89
Rot. Bonds7

About ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate

ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate (PubChem CID 174958071) has the molecular formula C14H27NO5Si and a molecular weight of 317.46 g/mol. Its IUPAC name is ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Nameethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
PubChem CID174958071
Molecular FormulaC14H27NO5Si
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Nameethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
SMILESC=COC(=O)NCCC.C=COC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C8H16O3Si.C6H11NO2/c1-5-10-8(9)11-6-7-12(2,3)4;1-3-5-7-6(8)9-4-2/h5H,1,6-7H2,2-4H3;4H,2-3,5H2,1H3,(H,7,8)
InChIKeyPXJSESPZULIJLY-UHFFFAOYSA-N
XLogP3.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate
CID 158779925
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
ethenyl undecyl carbonate
CID 91692931
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
ethenyl N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]carbamate
CID 87161549
octyl 2-trimethylsilylethyl carbonate
CID 172701355
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
ethenyl 3-(ethenoxycarbonylamino)propanoate
CID 87997576
4-[[[[[[[[[[[[[[[[[[[[[[[[[4-ethenoxycarbonyloxybutyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butyl ethenyl carbonate
CID 91076405
ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
CID 144547902
ethyl N-propylcarbamate
CID 12199
2-hydroxyethyl N-propylcarbamate
CID 15560805

Frequently Asked Questions

What is the IUPAC name of ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate?
The IUPAC name of ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate (CID 174958071) is ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate.
What is the SMILES notation for ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate?
The canonical SMILES for ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate is C=COC(=O)NCCC.C=COC(=O)OCC[Si](C)(C)C.
What is the InChIKey of ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate?
The InChIKey is PXJSESPZULIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si.C6H11NO2/c1-5-10-8(9)11-6-7-12(2,3)4;1-3-5-7-6(8)9-4-2/h5H,1,6-7H2,2-4H3;4H,2-3,5H2,1H3,(H,7,8).
What are the key properties of ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate?
ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate has a molecular weight of 317.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 174958071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).