1-octyl-3-(3-triethoxysilylpropyl)urea

C18H40N2O4Si — CID 102048521

IUPAC1-octyl-3-(3-triethoxysilylpropyl)urea
SMILESCCCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40N2O4Si/c1-5-9-10-11-12-13-15-19-18(21)20-16-14-17-25(22-6-2,23-7-3)24-8-4/h5-17H2,1-4H3,(H2,19,20,21)
InChIKeyAEIQLAVHKNJZOU-UHFFFAOYSA-N
MW376.61 g/mol
LogP4.08
Rot. Bonds17

About 1-octyl-3-(3-triethoxysilylpropyl)urea

1-octyl-3-(3-triethoxysilylpropyl)urea (PubChem CID 102048521) has the molecular formula C18H40N2O4Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 1-octyl-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-octyl-3-(3-triethoxysilylpropyl)urea
PubChem CID102048521
Molecular FormulaC18H40N2O4Si
Molecular Weight376.61 g/mol
Exact Mass376.28
IUPAC Name1-octyl-3-(3-triethoxysilylpropyl)urea
SMILESCCCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40N2O4Si/c1-5-9-10-11-12-13-15-19-18(21)20-16-14-17-25(22-6-2,23-7-3)24-8-4/h5-17H2,1-4H3,(H2,19,20,21)
InChIKeyAEIQLAVHKNJZOU-UHFFFAOYSA-N
XLogP4.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374
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
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
CID 102321543
CID 102321543
1-butyl-3-octylurea
CID 17269600
1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769
N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
CID 175949484
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
1-propyl-3-tridecylurea
CID 10934987

Frequently Asked Questions

What is the IUPAC name of 1-octyl-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-octyl-3-(3-triethoxysilylpropyl)urea (CID 102048521) is 1-octyl-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-octyl-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-octyl-3-(3-triethoxysilylpropyl)urea is CCCCCCCCNC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-octyl-3-(3-triethoxysilylpropyl)urea?
The InChIKey is AEIQLAVHKNJZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O4Si/c1-5-9-10-11-12-13-15-19-18(21)20-16-14-17-25(22-6-2,23-7-3)24-8-4/h5-17H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-octyl-3-(3-triethoxysilylpropyl)urea?
1-octyl-3-(3-triethoxysilylpropyl)urea has a molecular weight of 376.61 g/mol, XLogP of 4.08, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 102048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).