6-[butyl(dimethyl)silyl]oxyhexanoic acid

C12H26O3Si — CID 88690579

IUPAC6-[butyl(dimethyl)silyl]oxyhexanoic acid
SMILESCCCC[Si](C)(C)OCCCCCC(=O)O
InChIInChI=1S/C12H26O3Si/c1-4-5-11-16(2,3)15-10-8-6-7-9-12(13)14/h4-11H2,1-3H3,(H,13,14)
InChIKeyWBNWQPSKPITINJ-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.65
Rot. Bonds10

About 6-[butyl(dimethyl)silyl]oxyhexanoic acid

6-[butyl(dimethyl)silyl]oxyhexanoic acid (PubChem CID 88690579) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 6-[butyl(dimethyl)silyl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[butyl(dimethyl)silyl]oxyhexanoic acid
PubChem CID88690579
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name6-[butyl(dimethyl)silyl]oxyhexanoic acid
SMILESCCCC[Si](C)(C)OCCCCCC(=O)O
InChIInChI=1S/C12H26O3Si/c1-4-5-11-16(2,3)15-10-8-6-7-9-12(13)14/h4-11H2,1-3H3,(H,13,14)
InChIKeyWBNWQPSKPITINJ-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[butyl(dimethyl)silyl]oxyhexanoic 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-[butyl(dimethyl)silyl]oxyhexanoic acid?
The IUPAC name of 6-[butyl(dimethyl)silyl]oxyhexanoic acid (CID 88690579) is 6-[butyl(dimethyl)silyl]oxyhexanoic acid.
What is the SMILES notation for 6-[butyl(dimethyl)silyl]oxyhexanoic acid?
The canonical SMILES for 6-[butyl(dimethyl)silyl]oxyhexanoic acid is CCCC[Si](C)(C)OCCCCCC(=O)O.
What is the InChIKey of 6-[butyl(dimethyl)silyl]oxyhexanoic acid?
The InChIKey is WBNWQPSKPITINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-4-5-11-16(2,3)15-10-8-6-7-9-12(13)14/h4-11H2,1-3H3,(H,13,14).
What are the key properties of 6-[butyl(dimethyl)silyl]oxyhexanoic acid?
6-[butyl(dimethyl)silyl]oxyhexanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(dimethyl)silyl]oxyhexanoic acid is sourced from PubChem (CID 88690579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).