3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid

C8H18O4Si — CID 57291447

IUPAC3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid
SMILESCO[Si](C)(OC)C(C)C(C)C(=O)O
InChIInChI=1S/C8H18O4Si/c1-6(8(9)10)7(2)13(5,11-3)12-4/h6-7H,1-5H3,(H,9,10)
InChIKeyAPICUNPJNNUDDU-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.46
Rot. Bonds5

About 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid

3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid (PubChem CID 57291447) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid
PubChem CID57291447
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid
SMILESCO[Si](C)(OC)C(C)C(C)C(=O)O
InChIInChI=1S/C8H18O4Si/c1-6(8(9)10)7(2)13(5,11-3)12-4/h6-7H,1-5H3,(H,9,10)
InChIKeyAPICUNPJNNUDDU-UHFFFAOYSA-N
XLogP1.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethoxysilylpropanoic acid
CID 19100244
2-bromopropanoic acid;methoxymethane
CID 159963674
1-[dimethoxy(methyl)silyl]ethyl acetate
CID 88687093
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
(2R)-4-methoxy-3-methoxycarbonyl-2-methyl-4-oxobutanoic acid
CID 134916986
2-methoxypropanoic acid;titanium
CID 175177225
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
4-(3-carboxy-2-methylbutanoyl)oxy-2,3-dimethyl-4-oxobutanoic acid
CID 88750735
1-[dimethoxy(methyl)silyl]ethyl-hydroxy-dimethylsilane
CID 173175499

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid?
The IUPAC name of 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid (CID 57291447) is 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid is CO[Si](C)(OC)C(C)C(C)C(=O)O.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid?
The InChIKey is APICUNPJNNUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-6(8(9)10)7(2)13(5,11-3)12-4/h6-7H,1-5H3,(H,9,10).
What are the key properties of 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid?
3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid has a molecular weight of 206.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]-2-methylbutanoic acid is sourced from PubChem (CID 57291447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).