triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane

C18H38N2O5Si — CID 140960756

IUPACtriethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCN(CCCOCC2CO2)C1)(OCC)OCC
InChIInChI=1S/C18H38N2O5Si/c1-4-23-26(24-5-2,25-6-3)14-8-10-20-12-11-19(17-20)9-7-13-21-15-18-16-22-18/h18H,4-17H2,1-3H3
InChIKeyJKHKFSMGHYSGSN-UHFFFAOYSA-N
MW390.60 g/mol
LogP1.81
Rot. Bonds16

About triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane

triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane (PubChem CID 140960756) has the molecular formula C18H38N2O5Si and a molecular weight of 390.60 g/mol. Its IUPAC name is triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
PubChem CID140960756
Molecular FormulaC18H38N2O5Si
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Nametriethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCN(CCCOCC2CO2)C1)(OCC)OCC
InChIInChI=1S/C18H38N2O5Si/c1-4-23-26(24-5-2,25-6-3)14-8-10-20-12-11-19(17-20)9-7-13-21-15-18-16-22-18/h18H,4-17H2,1-3H3
InChIKeyJKHKFSMGHYSGSN-UHFFFAOYSA-N
XLogP1.81
TPSA55.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 51.81
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'}

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Related Compounds

propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propane-1-thiol
CID 148653650
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
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
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
3-(3,5-dipropyl-1,3,5-triazinan-1-yl)propyl-triethoxysilane
CID 153419971
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
CID 156812550
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane (CID 140960756) is triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane is CCO[Si](CCCN1CCN(CCCOCC2CO2)C1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane?
The InChIKey is JKHKFSMGHYSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O5Si/c1-4-23-26(24-5-2,25-6-3)14-8-10-20-12-11-19(17-20)9-7-13-21-15-18-16-22-18/h18H,4-17H2,1-3H3.
What are the key properties of triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane?
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane has a molecular weight of 390.60 g/mol, XLogP of 1.81, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane is sourced from PubChem (CID 140960756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).