1-triethoxysilylpropyl pentanoate

C14H30O5Si — CID 22902839

IUPAC1-triethoxysilylpropyl pentanoate
SMILESCCCCC(=O)OC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-6-11-12-13(15)19-14(7-2)20(16-8-3,17-9-4)18-10-5/h14H,6-12H2,1-5H3
InChIKeyCQAONXWQZDBAGM-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.09
Rot. Bonds12

About 1-triethoxysilylpropyl pentanoate

1-triethoxysilylpropyl pentanoate (PubChem CID 22902839) has the molecular formula C14H30O5Si and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-triethoxysilylpropyl pentanoate.

Molecular Properties

Compound Name1-triethoxysilylpropyl pentanoate
PubChem CID22902839
Molecular FormulaC14H30O5Si
Molecular Weight306.47 g/mol
Exact Mass306.19
IUPAC Name1-triethoxysilylpropyl pentanoate
SMILESCCCCC(=O)OC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-6-11-12-13(15)19-14(7-2)20(16-8-3,17-9-4)18-10-5/h14H,6-12H2,1-5H3
InChIKeyCQAONXWQZDBAGM-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-triethoxysilylpropyl pentanoate?
The IUPAC name of 1-triethoxysilylpropyl pentanoate (CID 22902839) is 1-triethoxysilylpropyl pentanoate.
What is the SMILES notation for 1-triethoxysilylpropyl pentanoate?
The canonical SMILES for 1-triethoxysilylpropyl pentanoate is CCCCC(=O)OC(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylpropyl pentanoate?
The InChIKey is CQAONXWQZDBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-6-11-12-13(15)19-14(7-2)20(16-8-3,17-9-4)18-10-5/h14H,6-12H2,1-5H3.
What are the key properties of 1-triethoxysilylpropyl pentanoate?
1-triethoxysilylpropyl pentanoate has a molecular weight of 306.47 g/mol, XLogP of 3.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropyl pentanoate is sourced from PubChem (CID 22902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).