2-triethoxysilylhexanoic acid

C12H26O5Si — CID 141402129

IUPAC2-triethoxysilylhexanoic acid
SMILESCCCCC(C(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-10-11(12(13)14)18(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,14)
InChIKeyZBFSAQPBFDHBNR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.68
Rot. Bonds11

About 2-triethoxysilylhexanoic acid

2-triethoxysilylhexanoic acid (PubChem CID 141402129) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-triethoxysilylhexanoic acid.

Molecular Properties

Compound Name2-triethoxysilylhexanoic acid
PubChem CID141402129
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-triethoxysilylhexanoic acid
SMILESCCCCC(C(=O)O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-10-11(12(13)14)18(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,14)
InChIKeyZBFSAQPBFDHBNR-UHFFFAOYSA-N
XLogP2.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-triethoxysilylhexanoic acid?
The IUPAC name of 2-triethoxysilylhexanoic acid (CID 141402129) is 2-triethoxysilylhexanoic acid.
What is the SMILES notation for 2-triethoxysilylhexanoic acid?
The canonical SMILES for 2-triethoxysilylhexanoic acid is CCCCC(C(=O)O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-triethoxysilylhexanoic acid?
The InChIKey is ZBFSAQPBFDHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-9-10-11(12(13)14)18(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,14).
What are the key properties of 2-triethoxysilylhexanoic acid?
2-triethoxysilylhexanoic acid has a molecular weight of 278.42 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilylhexanoic acid is sourced from PubChem (CID 141402129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).