2-trimethylsilyloxybutanoic acid

C7H16O3Si — CID 88616813

IUPAC2-trimethylsilyloxybutanoic acid
SMILESCCC(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C7H16O3Si/c1-5-6(7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyMKZPYCQCCVNMIE-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.70
Rot. Bonds4

About 2-trimethylsilyloxybutanoic acid

2-trimethylsilyloxybutanoic acid (PubChem CID 88616813) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is 2-trimethylsilyloxybutanoic acid.

Molecular Properties

Compound Name2-trimethylsilyloxybutanoic acid
PubChem CID88616813
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Name2-trimethylsilyloxybutanoic acid
SMILESCCC(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C7H16O3Si/c1-5-6(7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9)
InChIKeyMKZPYCQCCVNMIE-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

(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
2-acetyloxybutanoic acid
CID 13327294
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
methane;2-nitrooxybutanoic acid
CID 173056358
(2R)-2-(trifluoromethylsulfonyloxy)butanoic acid
CID 87372021
2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
CID 22211916
6-trimethylsilyloxydecan-5-one
CID 101053254
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-bromooxyheptanoic acid
CID 151321599
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxybutanoic acid?
The IUPAC name of 2-trimethylsilyloxybutanoic acid (CID 88616813) is 2-trimethylsilyloxybutanoic acid.
What is the SMILES notation for 2-trimethylsilyloxybutanoic acid?
The canonical SMILES for 2-trimethylsilyloxybutanoic acid is CCC(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-trimethylsilyloxybutanoic acid?
The InChIKey is MKZPYCQCCVNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-5-6(7(8)9)10-11(2,3)4/h6H,5H2,1-4H3,(H,8,9).
What are the key properties of 2-trimethylsilyloxybutanoic acid?
2-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 2-trimethylsilyloxybutanoic acid is sourced from PubChem (CID 88616813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).