2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde

C23H28O3Si — CID 171085570

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
SMILESCC(C)(C)[Si](OC1CCCC1C(=O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O3Si/c1-23(2,3)27(18-11-6-4-7-12-18,19-13-8-5-9-14-19)26-22-16-10-15-20(22)21(25)17-24/h4-9,11-14,17,20,22H,10,15-16H2,1-3H3
InChIKeyJFGIPRPESMTWTQ-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde

2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde (PubChem CID 171085570) has the molecular formula C23H28O3Si and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
PubChem CID171085570
Molecular FormulaC23H28O3Si
Molecular Weight380.56 g/mol
Exact Mass380.18
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
SMILESCC(C)(C)[Si](OC1CCCC1C(=O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O3Si/c1-23(2,3)27(18-11-6-4-7-12-18,19-13-8-5-9-14-19)26-22-16-10-15-20(22)21(25)17-24/h4-9,11-14,17,20,22H,10,15-16H2,1-3H3
InChIKeyJFGIPRPESMTWTQ-UHFFFAOYSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
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,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
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
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde (CID 171085570) is 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde is CC(C)(C)[Si](OC1CCCC1C(=O)C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde?
The InChIKey is JFGIPRPESMTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3Si/c1-23(2,3)27(18-11-6-4-7-12-18,19-13-8-5-9-14-19)26-22-16-10-15-20(22)21(25)17-24/h4-9,11-14,17,20,22H,10,15-16H2,1-3H3.
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde?
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde has a molecular weight of 380.56 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde is sourced from PubChem (CID 171085570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).