2-diethoxysilyl-2-propylhexanoic acid

C13H28O4Si — CID 150337920

IUPAC2-diethoxysilyl-2-propylhexanoic acid
SMILESCCCCC(CCC)(C(=O)O)[SiH](OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-5-9-11-13(10-6-2,12(14)15)18(16-7-3)17-8-4/h18H,5-11H2,1-4H3,(H,14,15)
InChIKeyGRBPWSJSFGZOHG-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.10
Rot. Bonds11

About 2-diethoxysilyl-2-propylhexanoic acid

2-diethoxysilyl-2-propylhexanoic acid (PubChem CID 150337920) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-diethoxysilyl-2-propylhexanoic acid.

Molecular Properties

Compound Name2-diethoxysilyl-2-propylhexanoic acid
PubChem CID150337920
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name2-diethoxysilyl-2-propylhexanoic acid
SMILESCCCCC(CCC)(C(=O)O)[SiH](OCC)OCC
InChIInChI=1S/C13H28O4Si/c1-5-9-11-13(10-6-2,12(14)15)18(16-7-3)17-8-4/h18H,5-11H2,1-4H3,(H,14,15)
InChIKeyGRBPWSJSFGZOHG-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-diethoxysilyl-2-propylhexanoic acid?
The IUPAC name of 2-diethoxysilyl-2-propylhexanoic acid (CID 150337920) is 2-diethoxysilyl-2-propylhexanoic acid.
What is the SMILES notation for 2-diethoxysilyl-2-propylhexanoic acid?
The canonical SMILES for 2-diethoxysilyl-2-propylhexanoic acid is CCCCC(CCC)(C(=O)O)[SiH](OCC)OCC.
What is the InChIKey of 2-diethoxysilyl-2-propylhexanoic acid?
The InChIKey is GRBPWSJSFGZOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-5-9-11-13(10-6-2,12(14)15)18(16-7-3)17-8-4/h18H,5-11H2,1-4H3,(H,14,15).
What are the key properties of 2-diethoxysilyl-2-propylhexanoic acid?
2-diethoxysilyl-2-propylhexanoic acid has a molecular weight of 276.45 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxysilyl-2-propylhexanoic acid is sourced from PubChem (CID 150337920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).