3-trimethylsilyloxybutanoic acid

C7H16O3Si — CID 11008465

IUPAC3-trimethylsilyloxybutanoic acid
SMILESCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C7H16O3Si/c1-6(5-7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyJWPUTXHRGNEFPE-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.70
Rot. Bonds4

About 3-trimethylsilyloxybutanoic acid

3-trimethylsilyloxybutanoic acid (PubChem CID 11008465) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is 3-trimethylsilyloxybutanoic acid.

Molecular Properties

Compound Name3-trimethylsilyloxybutanoic acid
PubChem CID11008465
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Name3-trimethylsilyloxybutanoic acid
SMILESCC(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C7H16O3Si/c1-6(5-7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyJWPUTXHRGNEFPE-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(trimethylsilyloxy)pentanoic acid
CID 87303554
(3S)-3-methoxybutanoic acid
CID 51374275
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
3-ethoxybutanoic acid
CID 20508399
(3S)-3-[hydroxy(oxido)amino]oxybutanoic acid
CID 163150230
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
S-(2-trimethylsilyloxypropyl) ethanethioate
CID 71623584
3-carbonofluoridoyloxybutanoic acid
CID 130374957
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
3-[(E)-4-(1-carboxypropan-2-yloxy)-4-oxobut-2-enoyl]oxybutanoic acid
CID 175499750
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxybutanoic acid?
The IUPAC name of 3-trimethylsilyloxybutanoic acid (CID 11008465) is 3-trimethylsilyloxybutanoic acid.
What is the SMILES notation for 3-trimethylsilyloxybutanoic acid?
The canonical SMILES for 3-trimethylsilyloxybutanoic acid is CC(CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxybutanoic acid?
The InChIKey is JWPUTXHRGNEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-6(5-7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9).
What are the key properties of 3-trimethylsilyloxybutanoic acid?
3-trimethylsilyloxybutanoic acid has a molecular weight of 176.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxybutanoic acid is sourced from PubChem (CID 11008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).