2-methyl-2-(trimethylsilylmethyl)butanoic acid

C9H20O2Si — CID 106322957

IUPAC2-methyl-2-(trimethylsilylmethyl)butanoic acid
SMILESCCC(C)(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H20O2Si/c1-6-9(2,8(10)11)7-12(3,4)5/h6-7H2,1-5H3,(H,10,11)
InChIKeyCGGYRXYXMGLLIP-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.83
Rot. Bonds4

About 2-methyl-2-(trimethylsilylmethyl)butanoic acid

2-methyl-2-(trimethylsilylmethyl)butanoic acid (PubChem CID 106322957) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methyl-2-(trimethylsilylmethyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(trimethylsilylmethyl)butanoic acid
PubChem CID106322957
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-methyl-2-(trimethylsilylmethyl)butanoic acid
SMILESCCC(C)(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H20O2Si/c1-6-9(2,8(10)11)7-12(3,4)5/h6-7H2,1-5H3,(H,10,11)
InChIKeyCGGYRXYXMGLLIP-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-2-(trimethylsilylmethyl)butanoic acid?
The IUPAC name of 2-methyl-2-(trimethylsilylmethyl)butanoic acid (CID 106322957) is 2-methyl-2-(trimethylsilylmethyl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(trimethylsilylmethyl)butanoic acid?
The canonical SMILES for 2-methyl-2-(trimethylsilylmethyl)butanoic acid is CCC(C)(C[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(trimethylsilylmethyl)butanoic acid?
The InChIKey is CGGYRXYXMGLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-6-9(2,8(10)11)7-12(3,4)5/h6-7H2,1-5H3,(H,10,11).
What are the key properties of 2-methyl-2-(trimethylsilylmethyl)butanoic acid?
2-methyl-2-(trimethylsilylmethyl)butanoic acid has a molecular weight of 188.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trimethylsilylmethyl)butanoic acid is sourced from PubChem (CID 106322957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).