(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal

C27H32O3Si — CID 11983684

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
SMILESCC(C)(C)[Si](OCC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-20-19-24(21-28)29-22-23-13-7-4-8-14-23/h4-18,21,24H,19-20,22H2,1-3H3/t24-/m0/s1
InChIKeyVWIMFJQQTFGVJS-DEOSSOPVSA-N
MW432.64 g/mol
LogP4.74
Rot. Bonds10

About (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal (PubChem CID 11983684) has the molecular formula C27H32O3Si and a molecular weight of 432.64 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
PubChem CID11983684
Molecular FormulaC27H32O3Si
Molecular Weight432.64 g/mol
Exact Mass432.21
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
SMILESCC(C)(C)[Si](OCC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-20-19-24(21-28)29-22-23-13-7-4-8-14-23/h4-18,21,24H,19-20,22H2,1-3H3/t24-/m0/s1
InChIKeyVWIMFJQQTFGVJS-DEOSSOPVSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.74
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'}

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Related Compounds

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
CID 102478524
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
tert-butyl-[(E,3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-3-yl]oxy-diphenylsilane
CID 56931226

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal (CID 11983684) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal is CC(C)(C)[Si](OCC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal?
The InChIKey is VWIMFJQQTFGVJS-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-20-19-24(21-28)29-22-23-13-7-4-8-14-23/h4-18,21,24H,19-20,22H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal?
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal has a molecular weight of 432.64 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal is sourced from PubChem (CID 11983684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).