octyl 2-triethoxysilylpropanoate

C17H36O5Si — CID 141314652

IUPACoctyl 2-triethoxysilylpropanoate
SMILESCCCCCCCCOC(=O)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O5Si/c1-6-10-11-12-13-14-15-19-17(18)16(5)23(20-7-2,21-8-3)22-9-4/h16H,6-15H2,1-5H3
InChIKeyALZUZVFKDCBHCT-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.33
Rot. Bonds15

About octyl 2-triethoxysilylpropanoate

octyl 2-triethoxysilylpropanoate (PubChem CID 141314652) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is octyl 2-triethoxysilylpropanoate.

Molecular Properties

Compound Nameoctyl 2-triethoxysilylpropanoate
PubChem CID141314652
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Nameoctyl 2-triethoxysilylpropanoate
SMILESCCCCCCCCOC(=O)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O5Si/c1-6-10-11-12-13-14-15-19-17(18)16(5)23(20-7-2,21-8-3)22-9-4/h16H,6-15H2,1-5H3
InChIKeyALZUZVFKDCBHCT-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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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Related Compounds

nonyl 2-chloropropanoate
CID 527519
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
heptyl 2-ethoxypropanoate
CID 175702782
dioctyl carbonate
CID 174882674
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
octadecyl 2-chloro-2-hydroxyacetate
CID 174607709
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
nonyl tri(propan-2-yl)silyl carbonate
CID 155712658

Frequently Asked Questions

What is the IUPAC name of octyl 2-triethoxysilylpropanoate?
The IUPAC name of octyl 2-triethoxysilylpropanoate (CID 141314652) is octyl 2-triethoxysilylpropanoate.
What is the SMILES notation for octyl 2-triethoxysilylpropanoate?
The canonical SMILES for octyl 2-triethoxysilylpropanoate is CCCCCCCCOC(=O)C(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of octyl 2-triethoxysilylpropanoate?
The InChIKey is ALZUZVFKDCBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-6-10-11-12-13-14-15-19-17(18)16(5)23(20-7-2,21-8-3)22-9-4/h16H,6-15H2,1-5H3.
What are the key properties of octyl 2-triethoxysilylpropanoate?
octyl 2-triethoxysilylpropanoate has a molecular weight of 348.56 g/mol, XLogP of 4.33, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-triethoxysilylpropanoate is sourced from PubChem (CID 141314652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).