trimethylsilyl 2-hydroxy-4-methylpentanoate

C9H20O3Si — CID 91696397

IUPACtrimethylsilyl 2-hydroxy-4-methylpentanoate
SMILESCC(C)CC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyXKPBWTJICWHTMG-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.77
Rot. Bonds4

About trimethylsilyl 2-hydroxy-4-methylpentanoate

trimethylsilyl 2-hydroxy-4-methylpentanoate (PubChem CID 91696397) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is trimethylsilyl 2-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-hydroxy-4-methylpentanoate
PubChem CID91696397
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Nametrimethylsilyl 2-hydroxy-4-methylpentanoate
SMILESCC(C)CC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyXKPBWTJICWHTMG-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.77
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-Hydroxyisocaproic acid
CID 92779
Leucic acid, L-
CID 83697
(R)-2-hydroxy-4-methylpentanoic acid
CID 439960
(R)-2-Hydroxy-4-methylpentanoate
CID 6951542
2-Hydroxy-4-methylvalerate
CID 21918177
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
CID 6951541
CID 6951541
DL-Leucic acid calcium
CID 44146369
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
2-Hydroxy-3-methylbutyric acid, TBDMS
CID 91752566

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-hydroxy-4-methylpentanoate?
The IUPAC name of trimethylsilyl 2-hydroxy-4-methylpentanoate (CID 91696397) is trimethylsilyl 2-hydroxy-4-methylpentanoate.
What is the SMILES notation for trimethylsilyl 2-hydroxy-4-methylpentanoate?
The canonical SMILES for trimethylsilyl 2-hydroxy-4-methylpentanoate is CC(C)CC(O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-hydroxy-4-methylpentanoate?
The InChIKey is XKPBWTJICWHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of trimethylsilyl 2-hydroxy-4-methylpentanoate?
trimethylsilyl 2-hydroxy-4-methylpentanoate has a molecular weight of 204.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-hydroxy-4-methylpentanoate is sourced from PubChem (CID 91696397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).