5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid

C11H24O3Si — CID 90077407

IUPAC5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid
SMILESCC(C)(CCC(C)(C)[Si](C)(C)O)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-10(2,9(12)13)7-8-11(3,4)15(5,6)14/h14H,7-8H2,1-6H3,(H,12,13)
InChIKeyFXCOFUATKZVUGG-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.86
Rot. Bonds5

About 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid

5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid (PubChem CID 90077407) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid.

Molecular Properties

Compound Name5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid
PubChem CID90077407
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid
SMILESCC(C)(CCC(C)(C)[Si](C)(C)O)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-10(2,9(12)13)7-8-11(3,4)15(5,6)14/h14H,7-8H2,1-6H3,(H,12,13)
InChIKeyFXCOFUATKZVUGG-UHFFFAOYSA-N
XLogP2.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid?
The IUPAC name of 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid (CID 90077407) is 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid.
What is the SMILES notation for 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid?
The canonical SMILES for 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid is CC(C)(CCC(C)(C)[Si](C)(C)O)C(=O)O.
What is the InChIKey of 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid?
The InChIKey is FXCOFUATKZVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-10(2,9(12)13)7-8-11(3,4)15(5,6)14/h14H,7-8H2,1-6H3,(H,12,13).
What are the key properties of 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid?
5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid has a molecular weight of 232.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid is sourced from PubChem (CID 90077407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).