3-ethoxysilylpropyl N-ethoxycarbamate

C8H19NO4Si — CID 151174569

IUPAC3-ethoxysilylpropyl N-ethoxycarbamate
SMILESCCONC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C8H19NO4Si/c1-3-12-9-8(10)11-6-5-7-14-13-4-2/h3-7,14H2,1-2H3,(H,9,10)
InChIKeyNCZQAMUEGQEVRS-UHFFFAOYSA-N
MW221.33 g/mol
LogP0.59
Rot. Bonds8

About 3-ethoxysilylpropyl N-ethoxycarbamate

3-ethoxysilylpropyl N-ethoxycarbamate (PubChem CID 151174569) has the molecular formula C8H19NO4Si and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-ethoxysilylpropyl N-ethoxycarbamate.

Molecular Properties

Compound Name3-ethoxysilylpropyl N-ethoxycarbamate
PubChem CID151174569
Molecular FormulaC8H19NO4Si
Molecular Weight221.33 g/mol
Exact Mass221.11
IUPAC Name3-ethoxysilylpropyl N-ethoxycarbamate
SMILESCCONC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C8H19NO4Si/c1-3-12-9-8(10)11-6-5-7-14-13-4-2/h3-7,14H2,1-2H3,(H,9,10)
InChIKeyNCZQAMUEGQEVRS-UHFFFAOYSA-N
XLogP0.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxysilylpropyl hex-2-enoate
CID 154200355
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 174956610
3-ethoxysilylpropyl prop-2-enoate;triethoxysilane
CID 157454535
2-methylpropyl N-ethoxycarbamate
CID 115575426
butyl N-(2-amino-2-oxoethoxy)carbamate
CID 54092623
2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
CID 154406545
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
3-(3,3-diethoxypropoxysilyl)propylurea
CID 154499859
1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysilylpropyl N-ethoxycarbamate?
The IUPAC name of 3-ethoxysilylpropyl N-ethoxycarbamate (CID 151174569) is 3-ethoxysilylpropyl N-ethoxycarbamate.
What is the SMILES notation for 3-ethoxysilylpropyl N-ethoxycarbamate?
The canonical SMILES for 3-ethoxysilylpropyl N-ethoxycarbamate is CCONC(=O)OCCC[SiH2]OCC.
What is the InChIKey of 3-ethoxysilylpropyl N-ethoxycarbamate?
The InChIKey is NCZQAMUEGQEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4Si/c1-3-12-9-8(10)11-6-5-7-14-13-4-2/h3-7,14H2,1-2H3,(H,9,10).
What are the key properties of 3-ethoxysilylpropyl N-ethoxycarbamate?
3-ethoxysilylpropyl N-ethoxycarbamate has a molecular weight of 221.33 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilylpropyl N-ethoxycarbamate is sourced from PubChem (CID 151174569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).