(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal

C24H35NO2Si — CID 135007354

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-20-23(19-26)18-25(16-21-12-8-6-9-13-21)17-22-14-10-7-11-15-22/h6-15,19,23H,16-18,20H2,1-5H3/t23-/m1/s1
InChIKeyOOJMYAQTSNISEB-HSZRJFAPSA-N
MW397.63 g/mol
LogP5.53
Rot. Bonds10

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal (PubChem CID 135007354) has the molecular formula C24H35NO2Si and a molecular weight of 397.63 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal
PubChem CID135007354
Molecular FormulaC24H35NO2Si
Molecular Weight397.63 g/mol
Exact Mass397.24
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-20-23(19-26)18-25(16-21-12-8-6-9-13-21)17-22-14-10-7-11-15-22/h6-15,19,23H,16-18,20H2,1-5H3/t23-/m1/s1
InChIKeyOOJMYAQTSNISEB-HSZRJFAPSA-N
XLogP5.53
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 ≤ 55.53
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal (CID 135007354) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal is CC(C)(C)[Si](C)(C)OC[C@@H](C=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal?
The InChIKey is OOJMYAQTSNISEB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-24(2,3)28(4,5)27-20-23(19-26)18-25(16-21-12-8-6-9-13-21)17-22-14-10-7-11-15-22/h6-15,19,23H,16-18,20H2,1-5H3/t23-/m1/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal has a molecular weight of 397.63 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)propanal is sourced from PubChem (CID 135007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).