(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid

C20H24O4Si — CID 13429752

IUPAC(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O4Si/c1-20(2,3)25(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17-18(24-17)19(21)22/h4-13,17-18H,14H2,1-3H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyGCFZALMPXZSZPU-MSOLQXFVSA-N
MW356.49 g/mol
LogP2.41
Rot. Bonds6

About (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid

(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid (PubChem CID 13429752) has the molecular formula C20H24O4Si and a molecular weight of 356.49 g/mol. Its IUPAC name is (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid
PubChem CID13429752
Molecular FormulaC20H24O4Si
Molecular Weight356.49 g/mol
Exact Mass356.14
IUPAC Name(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O4Si/c1-20(2,3)25(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17-18(24-17)19(21)22/h4-13,17-18H,14H2,1-3H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyGCFZALMPXZSZPU-MSOLQXFVSA-N
XLogP2.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.41
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-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid (CID 13429752) is (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid is CC(C)(C)[Si](OC[C@H]1O[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The InChIKey is GCFZALMPXZSZPU-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24O4Si/c1-20(2,3)25(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17-18(24-17)19(21)22/h4-13,17-18H,14H2,1-3H3,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid has a molecular weight of 356.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carboxylic acid is sourced from PubChem (CID 13429752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).