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

C24H32O3Si — CID 10960274

IUPAC3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal
SMILESCC(C)(C)[Si](O[C@@H]1OCCC[C@H]1CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-6-4-7-15-21,22-16-8-5-9-17-22)27-23-20(12-10-18-25)13-11-19-26-23/h4-9,14-18,20,23H,10-13,19H2,1-3H3/t20-,23+/m1/s1
InChIKeyFYZHYAITIJOOHQ-OFNKIYASSA-N
MW396.60 g/mol
LogP4.29
Rot. Bonds7

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

3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal (PubChem CID 10960274) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal.

Molecular Properties

Compound Name3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal
PubChem CID10960274
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal
SMILESCC(C)(C)[Si](O[C@@H]1OCCC[C@H]1CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-6-4-7-15-21,22-16-8-5-9-17-22)27-23-20(12-10-18-25)13-11-19-26-23/h4-9,14-18,20,23H,10-13,19H2,1-3H3/t20-,23+/m1/s1
InChIKeyFYZHYAITIJOOHQ-OFNKIYASSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.29
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'}

Analyze 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal 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

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
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
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
trans-(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(1,3-dioxan-2-yl)cyclohexan-1-one
CID 10252605
CID 101368247
CID 101368247
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal?
The IUPAC name of 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal (CID 10960274) is 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal.
What is the SMILES notation for 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal?
The canonical SMILES for 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal is CC(C)(C)[Si](O[C@@H]1OCCC[C@H]1CCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal?
The InChIKey is FYZHYAITIJOOHQ-OFNKIYASSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(21-14-6-4-7-15-21,22-16-8-5-9-17-22)27-23-20(12-10-18-25)13-11-19-26-23/h4-9,14-18,20,23H,10-13,19H2,1-3H3/t20-,23+/m1/s1.
What are the key properties of 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal?
3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal has a molecular weight of 396.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal is sourced from PubChem (CID 10960274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).