(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal

C19H24O2Si — CID 10828944

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal
SMILESC[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24O2Si/c1-16(15-20)21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/t16-/m0/s1
InChIKeyRRMPJLZPEZKPND-INIZCTEOSA-N
MW312.49 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal

(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal (PubChem CID 10828944) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal
PubChem CID10828944
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal
SMILESC[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24O2Si/c1-16(15-20)21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/t16-/m0/s1
InChIKeyRRMPJLZPEZKPND-INIZCTEOSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
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 (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal (CID 10828944) is (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal is C[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal?
The InChIKey is RRMPJLZPEZKPND-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-16(15-20)21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal?
(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal has a molecular weight of 312.49 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 (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanal is sourced from PubChem (CID 10828944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).