(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal

C14H28O4Si — CID 57243235

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CO[C@@H]1CCCCO1
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12(10-15)11-17-13-8-6-7-9-16-13/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1
InChIKeyNJZRZBJNEDGFEN-CHWSQXEVSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal (PubChem CID 57243235) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
PubChem CID57243235
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CO[C@@H]1CCCCO1
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12(10-15)11-17-13-8-6-7-9-16-13/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1
InChIKeyNJZRZBJNEDGFEN-CHWSQXEVSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal (CID 57243235) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal is CC(C)(C)[Si](C)(C)O[C@H](C=O)CO[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal?
The InChIKey is NJZRZBJNEDGFEN-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12(10-15)11-17-13-8-6-7-9-16-13/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal has a molecular weight of 288.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal is sourced from PubChem (CID 57243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).