2-ethoxyethyl 5-trimethoxysilylpentanoate

C12H26O6Si — CID 158197775

IUPAC2-ethoxyethyl 5-trimethoxysilylpentanoate
SMILESCCOCCOC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H26O6Si/c1-5-17-9-10-18-12(13)8-6-7-11-19(14-2,15-3)16-4/h5-11H2,1-4H3
InChIKeyOJOOMRLTJLGHIR-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds12

About 2-ethoxyethyl 5-trimethoxysilylpentanoate

2-ethoxyethyl 5-trimethoxysilylpentanoate (PubChem CID 158197775) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethoxyethyl 5-trimethoxysilylpentanoate.

Molecular Properties

Compound Name2-ethoxyethyl 5-trimethoxysilylpentanoate
PubChem CID158197775
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-ethoxyethyl 5-trimethoxysilylpentanoate
SMILESCCOCCOC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H26O6Si/c1-5-17-9-10-18-12(13)8-6-7-11-19(14-2,15-3)16-4/h5-11H2,1-4H3
InChIKeyOJOOMRLTJLGHIR-UHFFFAOYSA-N
XLogP1.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-ethoxyethyl 5-trimethoxysilylpentanoate?
The IUPAC name of 2-ethoxyethyl 5-trimethoxysilylpentanoate (CID 158197775) is 2-ethoxyethyl 5-trimethoxysilylpentanoate.
What is the SMILES notation for 2-ethoxyethyl 5-trimethoxysilylpentanoate?
The canonical SMILES for 2-ethoxyethyl 5-trimethoxysilylpentanoate is CCOCCOC(=O)CCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-ethoxyethyl 5-trimethoxysilylpentanoate?
The InChIKey is OJOOMRLTJLGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si/c1-5-17-9-10-18-12(13)8-6-7-11-19(14-2,15-3)16-4/h5-11H2,1-4H3.
What are the key properties of 2-ethoxyethyl 5-trimethoxysilylpentanoate?
2-ethoxyethyl 5-trimethoxysilylpentanoate has a molecular weight of 294.42 g/mol, XLogP of 1.61, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 5-trimethoxysilylpentanoate is sourced from PubChem (CID 158197775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).