3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal

C14H28O3Si — CID 135044553

IUPAC3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1CCC=O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13+/m0/s1
InChIKeySOLDHFJLMYSYKS-QWHCGFSZSA-N
MW272.46 g/mol
LogP3.53
Rot. Bonds5

About 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal

3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal (PubChem CID 135044553) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal.

Molecular Properties

Compound Name3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
PubChem CID135044553
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1CCC=O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13+/m0/s1
InChIKeySOLDHFJLMYSYKS-QWHCGFSZSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
CID 23248665
6-(1-(tert-butyldimethylsilyloxy)propyl)dihydro-2H-pyran-3(4H)-one
CID 58063709
(3S)-3-[(2S,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-5-methyloxan-2-yl]butanal
CID 160202571
4-Tert-butylsilyl-4-(oxan-2-yl)butanal
CID 175088350
methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate
CID 10566311
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propan-2-one
CID 11737367
4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one
CID 11781148
(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde
CID 25138625
2-[(1R,4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]acetaldehyde
CID 101439184

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal?
The IUPAC name of 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal (CID 135044553) is 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal.
What is the SMILES notation for 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal?
The canonical SMILES for 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal is CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1CCC=O.
What is the InChIKey of 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal?
The InChIKey is SOLDHFJLMYSYKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal?
3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal has a molecular weight of 272.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal is sourced from PubChem (CID 135044553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).