6-trimethoxysilylhexanoic acid

C9H20O5Si — CID 87318823

IUPAC6-trimethoxysilylhexanoic acid
SMILESCO[Si](CCCCCC(=O)O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-12-15(13-2,14-3)8-6-4-5-7-9(10)11/h4-8H2,1-3H3,(H,10,11)
InChIKeyLUONPEUENMSSCS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.51
Rot. Bonds9

About 6-trimethoxysilylhexanoic acid

6-trimethoxysilylhexanoic acid (PubChem CID 87318823) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-trimethoxysilylhexanoic acid.

Molecular Properties

Compound Name6-trimethoxysilylhexanoic acid
PubChem CID87318823
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name6-trimethoxysilylhexanoic acid
SMILESCO[Si](CCCCCC(=O)O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-12-15(13-2,14-3)8-6-4-5-7-9(10)11/h4-8H2,1-3H3,(H,10,11)
InChIKeyLUONPEUENMSSCS-UHFFFAOYSA-N
XLogP1.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-trimethoxysilylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-trimethoxysilylhexanoic acid?
The IUPAC name of 6-trimethoxysilylhexanoic acid (CID 87318823) is 6-trimethoxysilylhexanoic acid.
What is the SMILES notation for 6-trimethoxysilylhexanoic acid?
The canonical SMILES for 6-trimethoxysilylhexanoic acid is CO[Si](CCCCCC(=O)O)(OC)OC.
What is the InChIKey of 6-trimethoxysilylhexanoic acid?
The InChIKey is LUONPEUENMSSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-12-15(13-2,14-3)8-6-4-5-7-9(10)11/h4-8H2,1-3H3,(H,10,11).
What are the key properties of 6-trimethoxysilylhexanoic acid?
6-trimethoxysilylhexanoic acid has a molecular weight of 236.34 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethoxysilylhexanoic acid is sourced from PubChem (CID 87318823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).