octadecyl N-(3-triethoxysilylpropyl)carbamate

C28H59NO5Si — CID 58802948

IUPACoctadecyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C28H59NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31-28(30)29-25-24-27-35(32-6-2,33-7-3)34-8-4/h5-27H2,1-4H3,(H,29,30)
InChIKeyASJKMTIJQPRJKL-UHFFFAOYSA-N
MW517.87 g/mol
LogP8.41
Rot. Bonds27

About octadecyl N-(3-triethoxysilylpropyl)carbamate

octadecyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 58802948) has the molecular formula C28H59NO5Si and a molecular weight of 517.87 g/mol. Its IUPAC name is octadecyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nameoctadecyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID58802948
Molecular FormulaC28H59NO5Si
Molecular Weight517.87 g/mol
Exact Mass517.42
IUPAC Nameoctadecyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C28H59NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31-28(30)29-25-24-27-35(32-6-2,33-7-3)34-8-4/h5-27H2,1-4H3,(H,29,30)
InChIKeyASJKMTIJQPRJKL-UHFFFAOYSA-N
XLogP8.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.87
LogP ≤ 58.41
H-Bond Donors ≤ 51
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

heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
azane;octyl N-octylcarbamate
CID 175531380
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
octadecyl N-propylcarbamate
CID 175015942
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
5-(3-triethoxysilylpropylcarbamoyloxy)pentyl (E)-3-(6-heptoxynaphthalen-2-yl)prop-2-enoate
CID 70023865

Frequently Asked Questions

What is the IUPAC name of octadecyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of octadecyl N-(3-triethoxysilylpropyl)carbamate (CID 58802948) is octadecyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for octadecyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for octadecyl N-(3-triethoxysilylpropyl)carbamate is CCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of octadecyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is ASJKMTIJQPRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31-28(30)29-25-24-27-35(32-6-2,33-7-3)34-8-4/h5-27H2,1-4H3,(H,29,30).
What are the key properties of octadecyl N-(3-triethoxysilylpropyl)carbamate?
octadecyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 517.87 g/mol, XLogP of 8.41, 27 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 58802948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).