(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal

C24H35NO2Si — CID 11361498

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-17-16-23(20-26)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,16-19H2,1-5H3/t23-/m0/s1
InChIKeyLTQNDERFALIRTG-QHCPKHFHSA-N
MW397.63 g/mol
LogP5.67
Rot. Bonds10

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal (PubChem CID 11361498) has the molecular formula C24H35NO2Si and a molecular weight of 397.63 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
PubChem CID11361498
Molecular FormulaC24H35NO2Si
Molecular Weight397.63 g/mol
Exact Mass397.24
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-17-16-23(20-26)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,16-19H2,1-5H3/t23-/m0/s1
InChIKeyLTQNDERFALIRTG-QHCPKHFHSA-N
XLogP5.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.63
LogP ≤ 55.67
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

(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal
CID 11032275
(R)-2-(N,N-Dibenzylamino)-propionaldehyde
CID 11107859
(2S)-2-(dibenzylamino)-4-methylpentanal
CID 11119995
(S)-2-(N,N-Dibenzylamino)-3-methylbutyraldehyde
CID 11140543
(2R)-2-(dibenzylamino)-4-methylpentanal
CID 13949607
2-(Dibenzylamino)-3-methylbutanal
CID 13949608
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
CID 135077539
[4-[Ditert-butyl(fluoro)silyl]phenyl]methyl-dimethyl-(4-oxobutyl)azanium
CID 172157361
Pentanal, 2-[bis(phenylmethyl)amino]-4-methyl-
CID 563741
(2S,4R)-1-benzyl-2-formyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 50922891

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal (CID 11361498) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal is CC(C)(C)[Si](C)(C)OCC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal?
The InChIKey is LTQNDERFALIRTG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-17-16-23(20-26)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23H,16-19H2,1-5H3/t23-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal has a molecular weight of 397.63 g/mol, XLogP of 5.67, 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(dimethyl)silyl]oxy-2-(dibenzylamino)butanal is sourced from PubChem (CID 11361498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).