(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde

C12H24O3Si — CID 134854516

IUPAC(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-11-7-6-10(8-13)15-11/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyOEJREUIMAUSSAF-QWRGUYRKSA-N
MW244.41 g/mol
LogP2.75
Rot. Bonds4

About (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde

(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde (PubChem CID 134854516) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
PubChem CID134854516
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-11-7-6-10(8-13)15-11/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyOEJREUIMAUSSAF-QWRGUYRKSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.75
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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206
2-[Tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde
CID 85205070
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde
CID 150066859
(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10087930
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10359177
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxooxolan-2-yl]acetaldehyde
CID 10682664
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxooxolan-2-yl]acetaldehyde
CID 10999758

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde?
The IUPAC name of (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde (CID 134854516) is (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](C=O)O1.
What is the InChIKey of (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde?
The InChIKey is OEJREUIMAUSSAF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-11-7-6-10(8-13)15-11/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde?
(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde has a molecular weight of 244.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 134854516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).