(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid

C10H22O3Si — CID 87507546

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeyIYAKUMSVAGKDRS-MRVPVSSYSA-N
MW218.37 g/mol
LogP2.87
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid

(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid (PubChem CID 87507546) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
PubChem CID87507546
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeyIYAKUMSVAGKDRS-MRVPVSSYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.87
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

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
CID 154140046
2-trimethylsilyloxybutanoic acid
CID 88616813
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
CID 87165682
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 46933569
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid (CID 87507546) is (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid is CC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The InChIKey is IYAKUMSVAGKDRS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid has a molecular weight of 218.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid is sourced from PubChem (CID 87507546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).