(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal

C15H24O4SSi — CID 15648987

IUPAC(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)19-13(11-16)12-20(17,18)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3/t13-/m1/s1
InChIKeyQUGBVZRVTDRRAP-CYBMUJFWSA-N
MW328.51 g/mol
LogP3.05
Rot. Bonds6

About (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal

(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal (PubChem CID 15648987) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal
PubChem CID15648987
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)19-13(11-16)12-20(17,18)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3/t13-/m1/s1
InChIKeyQUGBVZRVTDRRAP-CYBMUJFWSA-N
XLogP3.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The IUPAC name of (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal (CID 15648987) is (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal is CC(C)(C)[Si](C)(C)O[C@H](C=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The InChIKey is QUGBVZRVTDRRAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-15(2,3)21(4,5)19-13(11-16)12-20(17,18)14-9-7-6-8-10-14/h6-11,13H,12H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
(2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal has a molecular weight of 328.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxypropanal is sourced from PubChem (CID 15648987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).