2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde

C22H26O4Si — CID 171085563

IUPAC2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
SMILESCC(C)(C)[Si](OC1COCC1C(=O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-21-16-25-15-19(21)20(24)14-23/h4-14,19,21H,15-16H2,1-3H3
InChIKeyJMVBJHCWSRJJIW-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.35
Rot. Bonds6

About 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde

2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde (PubChem CID 171085563) has the molecular formula C22H26O4Si and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
PubChem CID171085563
Molecular FormulaC22H26O4Si
Molecular Weight382.53 g/mol
Exact Mass382.16
IUPAC Name2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
SMILESCC(C)(C)[Si](OC1COCC1C(=O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-21-16-25-15-19(21)20(24)14-23/h4-14,19,21H,15-16H2,1-3H3
InChIKeyJMVBJHCWSRJJIW-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1,4-dimethylcyclohexane-1-carboxylic acid
CID 67319834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde (CID 171085563) is 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde is CC(C)(C)[Si](OC1COCC1C(=O)C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde?
The InChIKey is JMVBJHCWSRJJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-21-16-25-15-19(21)20(24)14-23/h4-14,19,21H,15-16H2,1-3H3.
What are the key properties of 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde?
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde has a molecular weight of 382.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 171085563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).