(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid

C12H24O4Si — CID 23258067

IUPAC(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@@]1(C)O[C@@H]1C(=O)O
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-7-12(4)9(16-12)10(13)14/h9H,7-8H2,1-6H3,(H,13,14)/t9-,12-/m1/s1
InChIKeyLUVKNZBXVQFVGX-BXKDBHETSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds5

About (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid

(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid (PubChem CID 23258067) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid
PubChem CID23258067
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@@]1(C)O[C@@H]1C(=O)O
InChIInChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-7-12(4)9(16-12)10(13)14/h9H,7-8H2,1-6H3,(H,13,14)/t9-,12-/m1/s1
InChIKeyLUVKNZBXVQFVGX-BXKDBHETSA-N
XLogP2.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid (CID 23258067) is (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCC[C@@]1(C)O[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid?
The InChIKey is LUVKNZBXVQFVGX-BXKDBHETSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(2,3)17(5,6)15-8-7-12(4)9(16-12)10(13)14/h9H,7-8H2,1-6H3,(H,13,14)/t9-,12-/m1/s1.
What are the key properties of (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid?
(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid has a molecular weight of 260.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxirane-2-carboxylic acid is sourced from PubChem (CID 23258067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).