2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde

C26H36O4Si — CID 25228984

IUPAC2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde
SMILESCOC1(CC=O)OC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C26H36O4Si/c1-21-22(20-29-26(21,28-5)17-18-27)16-19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18,21-22H,16-17,19-20H2,1-5H3/t21-,22+,26?/m0/s1
InChIKeyNCNZGAMTKGGIHQ-SMWUWQHRSA-N
MW440.66 g/mol
LogP4.17
Rot. Bonds9

About 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde

2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde (PubChem CID 25228984) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde
PubChem CID25228984
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde
SMILESCOC1(CC=O)OC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C26H36O4Si/c1-21-22(20-29-26(21,28-5)17-18-27)16-19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18,21-22H,16-17,19-20H2,1-5H3/t21-,22+,26?/m0/s1
InChIKeyNCNZGAMTKGGIHQ-SMWUWQHRSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde (CID 25228984) is 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde is COC1(CC=O)OC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C.
What is the InChIKey of 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde?
The InChIKey is NCNZGAMTKGGIHQ-SMWUWQHRSA-N. The full InChI is InChI=1S/C26H36O4Si/c1-21-22(20-29-26(21,28-5)17-18-27)16-19-30-31(25(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18,21-22H,16-17,19-20H2,1-5H3/t21-,22+,26?/m0/s1.
What are the key properties of 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde?
2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde has a molecular weight of 440.66 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxy-3-methyloxolan-2-yl]acetaldehyde is sourced from PubChem (CID 25228984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).