ethyl 11-[diethoxy(methyl)silyl]undecanoate

C18H38O4Si — CID 54450635

IUPACethyl 11-[diethoxy(methyl)silyl]undecanoate
SMILESCCOC(=O)CCCCCCCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C18H38O4Si/c1-5-20-18(19)16-14-12-10-8-9-11-13-15-17-23(4,21-6-2)22-7-3/h5-17H2,1-4H3
InChIKeyWUSJDMHKLKSRPT-UHFFFAOYSA-N
MW346.58 g/mol
LogP5.21
Rot. Bonds16

About ethyl 11-[diethoxy(methyl)silyl]undecanoate

ethyl 11-[diethoxy(methyl)silyl]undecanoate (PubChem CID 54450635) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is ethyl 11-[diethoxy(methyl)silyl]undecanoate.

Molecular Properties

Compound Nameethyl 11-[diethoxy(methyl)silyl]undecanoate
PubChem CID54450635
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Nameethyl 11-[diethoxy(methyl)silyl]undecanoate
SMILESCCOC(=O)CCCCCCCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C18H38O4Si/c1-5-20-18(19)16-14-12-10-8-9-11-13-15-17-23(4,21-6-2)22-7-3/h5-17H2,1-4H3
InChIKeyWUSJDMHKLKSRPT-UHFFFAOYSA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.21
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 11-[diethoxy(methyl)silyl]undecanoate?
The IUPAC name of ethyl 11-[diethoxy(methyl)silyl]undecanoate (CID 54450635) is ethyl 11-[diethoxy(methyl)silyl]undecanoate.
What is the SMILES notation for ethyl 11-[diethoxy(methyl)silyl]undecanoate?
The canonical SMILES for ethyl 11-[diethoxy(methyl)silyl]undecanoate is CCOC(=O)CCCCCCCCCC[Si](C)(OCC)OCC.
What is the InChIKey of ethyl 11-[diethoxy(methyl)silyl]undecanoate?
The InChIKey is WUSJDMHKLKSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-5-20-18(19)16-14-12-10-8-9-11-13-15-17-23(4,21-6-2)22-7-3/h5-17H2,1-4H3.
What are the key properties of ethyl 11-[diethoxy(methyl)silyl]undecanoate?
ethyl 11-[diethoxy(methyl)silyl]undecanoate has a molecular weight of 346.58 g/mol, XLogP of 5.21, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-[diethoxy(methyl)silyl]undecanoate is sourced from PubChem (CID 54450635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).