(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid

C13H26O4Si — CID 11043993

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@]1(C)C(=O)O
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10,4)11(14)15/h10H,7-9H2,1-6H3,(H,14,15)/t10-,13-/m0/s1
InChIKeyLGRVWMATRFLEKJ-GWCFXTLKSA-N
MW274.43 g/mol
LogP3.03
Rot. Bonds3

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid (PubChem CID 11043993) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid
PubChem CID11043993
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@]1(C)C(=O)O
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10,4)11(14)15/h10H,7-9H2,1-6H3,(H,14,15)/t10-,13-/m0/s1
InChIKeyLGRVWMATRFLEKJ-GWCFXTLKSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.03
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

4-Hydroxy-4-(2-trimethylsilylethynyl)oxane-2-carboxylic acid
CID 18616533
4-Hydroxy-4-trimethylsilanylethynyl-tetrahydro-pyran-2-carboxylic Acid Ethyl Ester
CID 53667156
(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 53678910
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
CID 57133642
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-one
CID 57591408
(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
CID 59891948
CID 59891948
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 67885017
3,3-Dihydroxy-2-methyloxane-2-carboxylic acid
CID 68729286
ethyl 2-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxylate
CID 86690128
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxooxan-2-yl]methyl acetate
CID 89575644
tetrahydro-2-(methoxymethyl)-2H-Pyran-2-carboxylic acid
CID 89692984

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid (CID 11043993) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@]1(C)C(=O)O.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid?
The InChIKey is LGRVWMATRFLEKJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10,4)11(14)15/h10H,7-9H2,1-6H3,(H,14,15)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid has a molecular weight of 274.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylic acid is sourced from PubChem (CID 11043993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).