(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid

C11H24O3Si — CID 139805329

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
SMILESCC[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13)/t9-/m0/s1
InChIKeyATYNPRAOTKBRBI-VIFPVBQESA-N
MW232.40 g/mol
LogP3.26
Rot. Bonds5

About (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid

(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid (PubChem CID 139805329) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
PubChem CID139805329
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
SMILESCC[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13)/t9-/m0/s1
InChIKeyATYNPRAOTKBRBI-VIFPVBQESA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.26
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

Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 16212721
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 21838741
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoic acid
CID 88155890
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 88298854
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 163274361
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid (CID 139805329) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid is CC[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The InChIKey is ATYNPRAOTKBRBI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid has a molecular weight of 232.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid is sourced from PubChem (CID 139805329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).