3-[hydroxy(methyl)silyl]-2-methylpropanoic acid

C5H12O3Si — CID 123282853

IUPAC3-[hydroxy(methyl)silyl]-2-methylpropanoic acid
SMILESCC(C[SiH](C)O)C(=O)O
InChIInChI=1S/C5H12O3Si/c1-4(5(6)7)3-9(2)8/h4,8-9H,3H2,1-2H3,(H,6,7)
InChIKeyCPNLTZALROHURS-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.05
Rot. Bonds3

About 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid

3-[hydroxy(methyl)silyl]-2-methylpropanoic acid (PubChem CID 123282853) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[hydroxy(methyl)silyl]-2-methylpropanoic acid
PubChem CID123282853
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3-[hydroxy(methyl)silyl]-2-methylpropanoic acid
SMILESCC(C[SiH](C)O)C(=O)O
InChIInChI=1S/C5H12O3Si/c1-4(5(6)7)3-9(2)8/h4,8-9H,3H2,1-2H3,(H,6,7)
InChIKeyCPNLTZALROHURS-UHFFFAOYSA-N
XLogP0.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.05
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 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid?
The IUPAC name of 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid (CID 123282853) is 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid is CC(C[SiH](C)O)C(=O)O.
What is the InChIKey of 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid?
The InChIKey is CPNLTZALROHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-4(5(6)7)3-9(2)8/h4,8-9H,3H2,1-2H3,(H,6,7).
What are the key properties of 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid?
3-[hydroxy(methyl)silyl]-2-methylpropanoic acid has a molecular weight of 148.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(methyl)silyl]-2-methylpropanoic acid is sourced from PubChem (CID 123282853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).