(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde
CID 11109894
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal
CID 56974857
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxane-4-carbaldehyde
CID 87972364
2-[Butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)propanal
CID 88482469
2-[Butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)butanal
CID 88482480
(2S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxane-2-carbaldehyde
CID 173844226
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10636213
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxy)propanoate
CID 10663382
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10754961
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10754962
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10850089
(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one
CID 10880317

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).