1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea

C23H48N2O5Si — CID 58571374

IUPAC1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
SMILESCCCCNC(=O)NCCCCCCCC(=O)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C23H48N2O5Si/c1-5-9-19-24-23(27)25-20-15-12-10-11-13-17-22(26)18-14-16-21-31(28-6-2,29-7-3)30-8-4/h5-21H2,1-4H3,(H2,24,25,27)
InChIKeyFTFCTYUXZIEQOK-UHFFFAOYSA-N
MW460.73 g/mol
LogP5.21
Rot. Bonds22

About 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea

1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea (PubChem CID 58571374) has the molecular formula C23H48N2O5Si and a molecular weight of 460.73 g/mol. Its IUPAC name is 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea.

Molecular Properties

Compound Name1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
PubChem CID58571374
Molecular FormulaC23H48N2O5Si
Molecular Weight460.73 g/mol
Exact Mass460.33
IUPAC Name1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
SMILESCCCCNC(=O)NCCCCCCCC(=O)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C23H48N2O5Si/c1-5-9-19-24-23(27)25-20-15-12-10-11-13-17-22(26)18-14-16-21-31(28-6-2,29-7-3)30-8-4/h5-21H2,1-4H3,(H2,24,25,27)
InChIKeyFTFCTYUXZIEQOK-UHFFFAOYSA-N
XLogP5.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.73
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
8-triethoxysilyloctanethioic S-acid
CID 87672935
1-(3-triethoxysilylpropyl)-3-[6-[2,4,6-trioxo-3,5-bis[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]-1,3,5-triazinan-1-yl]hexyl]urea
CID 100991329
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
11-triethoxysilylundecanoic acid
CID 22725829
7-(butylcarbamoylamino)heptanoic acid
CID 28786256

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea?
The IUPAC name of 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea (CID 58571374) is 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea.
What is the SMILES notation for 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea?
The canonical SMILES for 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea is CCCCNC(=O)NCCCCCCCC(=O)CCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea?
The InChIKey is FTFCTYUXZIEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O5Si/c1-5-9-19-24-23(27)25-20-15-12-10-11-13-17-22(26)18-14-16-21-31(28-6-2,29-7-3)30-8-4/h5-21H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea?
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea has a molecular weight of 460.73 g/mol, XLogP of 5.21, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea is sourced from PubChem (CID 58571374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).