ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate

C21H44N2O2Si — CID 140660804

IUPACethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)CN1CCN([Si](CC(C)C)(CC(C)C)CC(C)C)C1
InChIInChI=1S/C21H44N2O2Si/c1-9-25-21(24)20(8)12-22-10-11-23(16-22)26(13-17(2)3,14-18(4)5)15-19(6)7/h17-20H,9-16H2,1-8H3
InChIKeySCHZFHHEOJTVDM-UHFFFAOYSA-N
MW384.68 g/mol
LogP4.67
Rot. Bonds11

About ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate

ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate (PubChem CID 140660804) has the molecular formula C21H44N2O2Si and a molecular weight of 384.68 g/mol. Its IUPAC name is ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate
PubChem CID140660804
Molecular FormulaC21H44N2O2Si
Molecular Weight384.68 g/mol
Exact Mass384.32
IUPAC Nameethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)CN1CCN([Si](CC(C)C)(CC(C)C)CC(C)C)C1
InChIInChI=1S/C21H44N2O2Si/c1-9-25-21(24)20(8)12-22-10-11-23(16-22)26(13-17(2)3,14-18(4)5)15-19(6)7/h17-20H,9-16H2,1-8H3
InChIKeySCHZFHHEOJTVDM-UHFFFAOYSA-N
XLogP4.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate (CID 140660804) is ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate is CCOC(=O)C(C)CN1CCN([Si](CC(C)C)(CC(C)C)CC(C)C)C1.
What is the InChIKey of ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate?
The InChIKey is SCHZFHHEOJTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2Si/c1-9-25-21(24)20(8)12-22-10-11-23(16-22)26(13-17(2)3,14-18(4)5)15-19(6)7/h17-20H,9-16H2,1-8H3.
What are the key properties of ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate?
ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate has a molecular weight of 384.68 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate is sourced from PubChem (CID 140660804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).