[diethoxy(methyl)silyl] 2-ethenylundecanoate

C18H36O4Si — CID 54245372

IUPAC[diethoxy(methyl)silyl] 2-ethenylundecanoate
SMILESC=CC(CCCCCCCCC)C(=O)O[Si](C)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-6-10-11-12-13-14-15-16-17(7-2)18(19)22-23(5,20-8-3)21-9-4/h7,17H,2,6,8-16H2,1,3-5H3
InChIKeyQSXLEBMCFCZEEN-UHFFFAOYSA-N
MW344.57 g/mol
LogP5.11
Rot. Bonds15

About [diethoxy(methyl)silyl] 2-ethenylundecanoate

[diethoxy(methyl)silyl] 2-ethenylundecanoate (PubChem CID 54245372) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [diethoxy(methyl)silyl] 2-ethenylundecanoate.

Molecular Properties

Compound Name[diethoxy(methyl)silyl] 2-ethenylundecanoate
PubChem CID54245372
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name[diethoxy(methyl)silyl] 2-ethenylundecanoate
SMILESC=CC(CCCCCCCCC)C(=O)O[Si](C)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-6-10-11-12-13-14-15-16-17(7-2)18(19)22-23(5,20-8-3)21-9-4/h7,17H,2,6,8-16H2,1,3-5H3
InChIKeyQSXLEBMCFCZEEN-UHFFFAOYSA-N
XLogP5.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diethoxy(methyl)silyl] 2-ethenylundecanoate?
The IUPAC name of [diethoxy(methyl)silyl] 2-ethenylundecanoate (CID 54245372) is [diethoxy(methyl)silyl] 2-ethenylundecanoate.
What is the SMILES notation for [diethoxy(methyl)silyl] 2-ethenylundecanoate?
The canonical SMILES for [diethoxy(methyl)silyl] 2-ethenylundecanoate is C=CC(CCCCCCCCC)C(=O)O[Si](C)(OCC)OCC.
What is the InChIKey of [diethoxy(methyl)silyl] 2-ethenylundecanoate?
The InChIKey is QSXLEBMCFCZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-6-10-11-12-13-14-15-16-17(7-2)18(19)22-23(5,20-8-3)21-9-4/h7,17H,2,6,8-16H2,1,3-5H3.
What are the key properties of [diethoxy(methyl)silyl] 2-ethenylundecanoate?
[diethoxy(methyl)silyl] 2-ethenylundecanoate has a molecular weight of 344.57 g/mol, XLogP of 5.11, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl] 2-ethenylundecanoate is sourced from PubChem (CID 54245372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).