1-trimethoxysilylpropyl pentanoate

C11H24O5Si — CID 22902848

IUPAC1-trimethoxysilylpropyl pentanoate
SMILESCCCCC(=O)OC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C11H24O5Si/c1-6-8-9-10(12)16-11(7-2)17(13-3,14-4)15-5/h11H,6-9H2,1-5H3
InChIKeyVHTXOFWGIUNXRB-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.92
Rot. Bonds9

About 1-trimethoxysilylpropyl pentanoate

1-trimethoxysilylpropyl pentanoate (PubChem CID 22902848) has the molecular formula C11H24O5Si and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-trimethoxysilylpropyl pentanoate.

Molecular Properties

Compound Name1-trimethoxysilylpropyl pentanoate
PubChem CID22902848
Molecular FormulaC11H24O5Si
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name1-trimethoxysilylpropyl pentanoate
SMILESCCCCC(=O)OC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C11H24O5Si/c1-6-8-9-10(12)16-11(7-2)17(13-3,14-4)15-5/h11H,6-9H2,1-5H3
InChIKeyVHTXOFWGIUNXRB-UHFFFAOYSA-N
XLogP1.92
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.92
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-trimethoxysilylpropyl pentanoate?
The IUPAC name of 1-trimethoxysilylpropyl pentanoate (CID 22902848) is 1-trimethoxysilylpropyl pentanoate.
What is the SMILES notation for 1-trimethoxysilylpropyl pentanoate?
The canonical SMILES for 1-trimethoxysilylpropyl pentanoate is CCCCC(=O)OC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropyl pentanoate?
The InChIKey is VHTXOFWGIUNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5Si/c1-6-8-9-10(12)16-11(7-2)17(13-3,14-4)15-5/h11H,6-9H2,1-5H3.
What are the key properties of 1-trimethoxysilylpropyl pentanoate?
1-trimethoxysilylpropyl pentanoate has a molecular weight of 264.39 g/mol, XLogP of 1.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropyl pentanoate is sourced from PubChem (CID 22902848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).