triethoxysilyl hexanoate

C12H26O5Si — CID 87791863

IUPACtriethoxysilyl hexanoate
SMILESCCCCCC(=O)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-10-11-12(13)17-18(14-6-2,15-7-3)16-8-4/h5-11H2,1-4H3
InChIKeyUYPPYRBVKCCEOJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.65
Rot. Bonds11

About triethoxysilyl hexanoate

triethoxysilyl hexanoate (PubChem CID 87791863) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is triethoxysilyl hexanoate.

Molecular Properties

Compound Nametriethoxysilyl hexanoate
PubChem CID87791863
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametriethoxysilyl hexanoate
SMILESCCCCCC(=O)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-10-11-12(13)17-18(14-6-2,15-7-3)16-8-4/h5-11H2,1-4H3
InChIKeyUYPPYRBVKCCEOJ-UHFFFAOYSA-N
XLogP2.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.65
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 triethoxysilyl hexanoate?
The IUPAC name of triethoxysilyl hexanoate (CID 87791863) is triethoxysilyl hexanoate.
What is the SMILES notation for triethoxysilyl hexanoate?
The canonical SMILES for triethoxysilyl hexanoate is CCCCCC(=O)O[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxysilyl hexanoate?
The InChIKey is UYPPYRBVKCCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-9-10-11-12(13)17-18(14-6-2,15-7-3)16-8-4/h5-11H2,1-4H3.
What are the key properties of triethoxysilyl hexanoate?
triethoxysilyl hexanoate has a molecular weight of 278.42 g/mol, XLogP of 2.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl hexanoate is sourced from PubChem (CID 87791863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).