3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid

C14H28O4Si — CID 134882512

IUPAC3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(=O)O
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-7-6-10-17-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyMYADUHFQEYTDMA-NEPJUHHUSA-N
MW288.46 g/mol
LogP3.42
Rot. Bonds5

About 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid

3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid (PubChem CID 134882512) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
PubChem CID134882512
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(=O)O
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-7-6-10-17-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyMYADUHFQEYTDMA-NEPJUHHUSA-N
XLogP3.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.42
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

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
CID 22859773
methyl 3-[(2R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
CID 54165815
methyl (3R,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59036350
methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59949901
Methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
CID 67690442
3-[Tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid
CID 68906977
5-[Tert-butyl(dimethyl)silyl]oxyoxane-2-carboxylic acid
CID 90460201
3-[4-[Tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
CID 91026521
(2S,5R)-5-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
CID 131749971
(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-methyloxane-2-carboxylic acid
CID 140355526
3-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 154069490

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid (CID 134882512) is 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid?
The InChIKey is MYADUHFQEYTDMA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-7-6-10-17-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid?
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid has a molecular weight of 288.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid is sourced from PubChem (CID 134882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).