(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal

C19H24O3Si — CID 11348036

IUPAC(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
SMILESCC(C)(C)[Si](OC[C@H](O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16,21H,15H2,1-3H3/t16-/m1/s1
InChIKeyYYDCOOGZHHRUJP-MRXNPFEDSA-N
MW328.48 g/mol
LogP2.12
Rot. Bonds6

About (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal (PubChem CID 11348036) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
PubChem CID11348036
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
SMILESCC(C)(C)[Si](OC[C@H](O)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16,21H,15H2,1-3H3/t16-/m1/s1
InChIKeyYYDCOOGZHHRUJP-MRXNPFEDSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal?
The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal (CID 11348036) is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal.
What is the SMILES notation for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal?
The canonical SMILES for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal is CC(C)(C)[Si](OC[C@H](O)C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal?
The InChIKey is YYDCOOGZHHRUJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16,21H,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal?
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal has a molecular weight of 328.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal is sourced from PubChem (CID 11348036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).