(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal

C12H24O5Si — CID 10636213

IUPAC(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
SMILESCO[C@@H](OCC=O)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-10(9-14)11(15-4)16-8-7-13/h7,9-11H,8H2,1-6H3/t10-,11-/m0/s1
InChIKeyGOHSZTGMSHIPTA-QWRGUYRKSA-N
MW276.40 g/mol
LogP1.76
Rot. Bonds8

About (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal

(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal (PubChem CID 10636213) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal.

Molecular Properties

Compound Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
PubChem CID10636213
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
SMILESCO[C@@H](OCC=O)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-10(9-14)11(15-4)16-8-7-13/h7,9-11H,8H2,1-6H3/t10-,11-/m0/s1
InChIKeyGOHSZTGMSHIPTA-QWRGUYRKSA-N
XLogP1.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal?
The IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal (CID 10636213) is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal.
What is the SMILES notation for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal?
The canonical SMILES for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal is CO[C@@H](OCC=O)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal?
The InChIKey is GOHSZTGMSHIPTA-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-10(9-14)11(15-4)16-8-7-13/h7,9-11H,8H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal?
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal has a molecular weight of 276.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal is sourced from PubChem (CID 10636213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).