[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate

C12H26O3Si — CID 91752567

IUPAC[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate
SMILESCCC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-8-9(2)10(13)11(14)15-16(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyMPXWQXJEVGPXND-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.94
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate

[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate (PubChem CID 91752567) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate
PubChem CID91752567
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate
SMILESCCC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-8-9(2)10(13)11(14)15-16(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyMPXWQXJEVGPXND-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.94
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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
Trimethylsilyl 3-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 528641
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
2-Hydroxybutyric acid, TBDMS
CID 91752568
2-Hydroxyisocaproic acid, TMS derivative
CID 91696397
(2R)-2-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 10900513
2-{[tert-Butyl(dimethyl)silyl]oxy}-3-methylbutanoic acid
CID 14358765
(R)-2-(tert-butyldimethylsilyloxy)-3-methylbutanoic acid
CID 14358766
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 16756238
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
CID 16757387

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate (CID 91752567) is [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate is CCC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate?
The InChIKey is MPXWQXJEVGPXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-9(2)10(13)11(14)15-16(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate?
[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate has a molecular weight of 246.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 91752567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).