tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate

C19H38N2O4Si — CID 140646172

IUPACtripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate
SMILESCCCCC(CC)COC(=O)N=NC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C19H38N2O4Si/c1-6-11-12-17(10-5)16-24-18(22)20-21-19(23)25-26(13-7-2,14-8-3)15-9-4/h17H,6-16H2,1-5H3
InChIKeyVZQCPYFTZTXKJU-UHFFFAOYSA-N
MW386.61 g/mol
LogP7.10
Rot. Bonds13

About tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate

tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate (PubChem CID 140646172) has the molecular formula C19H38N2O4Si and a molecular weight of 386.61 g/mol. Its IUPAC name is tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate.

Molecular Properties

Compound Nametripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate
PubChem CID140646172
Molecular FormulaC19H38N2O4Si
Molecular Weight386.61 g/mol
Exact Mass386.26
IUPAC Nametripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate
SMILESCCCCC(CC)COC(=O)N=NC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C19H38N2O4Si/c1-6-11-12-17(10-5)16-24-18(22)20-21-19(23)25-26(13-7-2,14-8-3)15-9-4/h17H,6-16H2,1-5H3
InChIKeyVZQCPYFTZTXKJU-UHFFFAOYSA-N
XLogP7.10
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
2-ethylhexyl N-sulfinylcarbamate
CID 19777045
2-ethylhexyl N-diazocarbamate
CID 139795572
ethyl 2-ethylhexyl carbonate
CID 54194012
[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
CID 155712729
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl 4-amino-4-oxobut-2-enoate
CID 54105365
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509

Frequently Asked Questions

What is the IUPAC name of tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate?
The IUPAC name of tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate (CID 140646172) is tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate.
What is the SMILES notation for tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate?
The canonical SMILES for tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate is CCCCC(CC)COC(=O)N=NC(=O)O[Si](CCC)(CCC)CCC.
What is the InChIKey of tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate?
The InChIKey is VZQCPYFTZTXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4Si/c1-6-11-12-17(10-5)16-24-18(22)20-21-19(23)25-26(13-7-2,14-8-3)15-9-4/h17H,6-16H2,1-5H3.
What are the key properties of tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate?
tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate has a molecular weight of 386.61 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate is sourced from PubChem (CID 140646172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).