(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

C12H26O3Si — CID 139932065

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyAIHOGYMSEJAJSH-JTQLQIEISA-N
MW246.42 g/mol
LogP3.65
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid

(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid (PubChem CID 139932065) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
PubChem CID139932065
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
SMILESCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyAIHOGYMSEJAJSH-JTQLQIEISA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.65
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

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521552
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
2-Trimethylsilyloxysebacic acid
CID 129850615
6-[Tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
CID 134916975
2-Hydroxy-3-methylvaleric acid, TBDMS
CID 91752567
2-Hydroxybutyric acid, TBDMS
CID 91752568
2-Hydroxycaprylic acid, TBDMS
CID 91752569
Hexanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester, (DL)-
CID 553036
2-Hydroxyoctanoic acid, TMS derivative
CID 91696381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid (CID 139932065) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid is CCCC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
The InChIKey is AIHOGYMSEJAJSH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexanoic acid is sourced from PubChem (CID 139932065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).