4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid

C8H17ClO3Si — CID 57318038

IUPAC4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
SMILESCC(C(=O)O)C(CCl)O[Si](C)(C)C
InChIInChI=1S/C8H17ClO3Si/c1-6(8(10)11)7(5-9)12-13(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyREIBGHYNPMQWIQ-UHFFFAOYSA-N
MW224.76 g/mol
LogP2.17
Rot. Bonds5

About 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid

4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid (PubChem CID 57318038) has the molecular formula C8H17ClO3Si and a molecular weight of 224.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid.

Molecular Properties

Compound Name4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
PubChem CID57318038
Molecular FormulaC8H17ClO3Si
Molecular Weight224.76 g/mol
Exact Mass224.06
IUPAC Name4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
SMILESCC(C(=O)O)C(CCl)O[Si](C)(C)C
InChIInChI=1S/C8H17ClO3Si/c1-6(8(10)11)7(5-9)12-13(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyREIBGHYNPMQWIQ-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(trimethylsilyloxy)pentanoic acid
CID 87303554
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
CID 22211916
2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
CID 76530796
3-trimethylsilyloxybutanoic acid
CID 11008465
2-trimethylsilyloxybutanoic acid
CID 88616813
(4S,5R,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 102183052
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
dichloromethane;2-methylpropanoic acid
CID 161358956
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
2-methyl-3-methylsilyloxypentanoic acid
CID 123144884
(2S)-5-chloro-3-hydroxy-2-methylpentanoic acid
CID 87872460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid?
The IUPAC name of 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid (CID 57318038) is 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid.
What is the SMILES notation for 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid?
The canonical SMILES for 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid is CC(C(=O)O)C(CCl)O[Si](C)(C)C.
What is the InChIKey of 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid?
The InChIKey is REIBGHYNPMQWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3Si/c1-6(8(10)11)7(5-9)12-13(2,3)4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid?
4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid has a molecular weight of 224.76 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid is sourced from PubChem (CID 57318038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).