(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

C11H22O4Si — CID 86665259

IUPAC(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(7-10(12)13)8-11(14)15-5-6-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyKTGURSUTLZFGBH-VIFPVBQESA-N
MW246.38 g/mol
LogP2.37
Rot. Bonds7

About (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (PubChem CID 86665259) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.

Molecular Properties

Compound Name(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
PubChem CID86665259
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(7-10(12)13)8-11(14)15-5-6-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyKTGURSUTLZFGBH-VIFPVBQESA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.37
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

4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid
CID 175361596
strontium;hydride;3-methylpentanedioic acid
CID 173490798
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid
CID 175567598
[2-oxo-2-(2-trimethylsilylethoxy)ethyl]azaniumylideneazanide
CID 140747628
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324
bis(4-methoxybutyl) 3-methylpentanedioate
CID 101278770
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
2-trimethylsilylethyl heptanoate
CID 141105261
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The IUPAC name of (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (CID 86665259) is (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.
What is the SMILES notation for (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The canonical SMILES for (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is C[C@@H](CC(=O)O)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The InChIKey is KTGURSUTLZFGBH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22O4Si/c1-9(7-10(12)13)8-11(14)15-5-6-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid has a molecular weight of 246.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is sourced from PubChem (CID 86665259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).