ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate

C18H37NO7Si — CID 87376447

IUPACethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
SMILESCCOC(=O)N(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H37NO7Si/c1-5-22-18(20)19(11-9-13-21-15-17-16-23-17)12-10-14-27(24-6-2,25-7-3)26-8-4/h17H,5-16H2,1-4H3
InChIKeyYBDWUSDNTTUWEM-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.69
Rot. Bonds17

About ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate

ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate (PubChem CID 87376447) has the molecular formula C18H37NO7Si and a molecular weight of 407.58 g/mol. Its IUPAC name is ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
PubChem CID87376447
Molecular FormulaC18H37NO7Si
Molecular Weight407.58 g/mol
Exact Mass407.23
IUPAC Nameethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
SMILESCCOC(=O)N(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H37NO7Si/c1-5-22-18(20)19(11-9-13-21-15-17-16-23-17)12-10-14-27(24-6-2,25-7-3)26-8-4/h17H,5-16H2,1-4H3
InChIKeyYBDWUSDNTTUWEM-UHFFFAOYSA-N
XLogP2.69
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate with MolForge

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Related Compounds

2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
CID 156812550
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate (CID 87376447) is ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate is CCOC(=O)N(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is YBDWUSDNTTUWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO7Si/c1-5-22-18(20)19(11-9-13-21-15-17-16-23-17)12-10-14-27(24-6-2,25-7-3)26-8-4/h17H,5-16H2,1-4H3.
What are the key properties of ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate?
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 407.58 g/mol, XLogP of 2.69, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 87376447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).