3-triethoxysilylpropyl 2-ethylhexanoate

C17H36O5Si — CID 21431668

IUPAC3-triethoxysilylpropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O5Si/c1-6-11-13-16(7-2)17(18)19-14-12-15-23(20-8-3,21-9-4)22-10-5/h16H,6-15H2,1-5H3
InChIKeyPEEHFWJHOHYYGW-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.18
Rot. Bonds15

About 3-triethoxysilylpropyl 2-ethylhexanoate

3-triethoxysilylpropyl 2-ethylhexanoate (PubChem CID 21431668) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is 3-triethoxysilylpropyl 2-ethylhexanoate.

Molecular Properties

Compound Name3-triethoxysilylpropyl 2-ethylhexanoate
PubChem CID21431668
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Name3-triethoxysilylpropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O5Si/c1-6-11-13-16(7-2)17(18)19-14-12-15-23(20-8-3,21-9-4)22-10-5/h16H,6-15H2,1-5H3
InChIKeyPEEHFWJHOHYYGW-UHFFFAOYSA-N
XLogP4.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-triethoxysilylpropyl 2-ethylhexanoate?
The IUPAC name of 3-triethoxysilylpropyl 2-ethylhexanoate (CID 21431668) is 3-triethoxysilylpropyl 2-ethylhexanoate.
What is the SMILES notation for 3-triethoxysilylpropyl 2-ethylhexanoate?
The canonical SMILES for 3-triethoxysilylpropyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl 2-ethylhexanoate?
The InChIKey is PEEHFWJHOHYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-6-11-13-16(7-2)17(18)19-14-12-15-23(20-8-3,21-9-4)22-10-5/h16H,6-15H2,1-5H3.
What are the key properties of 3-triethoxysilylpropyl 2-ethylhexanoate?
3-triethoxysilylpropyl 2-ethylhexanoate has a molecular weight of 348.56 g/mol, XLogP of 4.18, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl 2-ethylhexanoate is sourced from PubChem (CID 21431668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).