2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde

C20H24O2Si — CID 10925395

IUPAC2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde
SMILESCC(C)[C@@H]1C[C@H](CC=O)[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H24O2Si/c1-16(2)20-15-19(13-14-21)23(22-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,19-20H,13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyGVEOARJOMITYBL-PMACEKPBSA-N
MW324.50 g/mol
LogP3.15
Rot. Bonds5

About 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde

2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde (PubChem CID 10925395) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde
PubChem CID10925395
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde
SMILESCC(C)[C@@H]1C[C@H](CC=O)[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H24O2Si/c1-16(2)20-15-19(13-14-21)23(22-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,19-20H,13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyGVEOARJOMITYBL-PMACEKPBSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde (CID 10925395) is 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde is CC(C)[C@@H]1C[C@H](CC=O)[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde?
The InChIKey is GVEOARJOMITYBL-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-16(2)20-15-19(13-14-21)23(22-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,19-20H,13,15H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde?
2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde has a molecular weight of 324.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde is sourced from PubChem (CID 10925395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).