(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal

C20H26O2Si — CID 11461566

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal
SMILESC[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-17(15-16-21)22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3/t17-/m0/s1
InChIKeyVTHDATLBSMPZON-KRWDZBQOSA-N
MW326.51 g/mol
LogP3.54
Rot. Bonds6

About (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal

(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal (PubChem CID 11461566) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal
PubChem CID11461566
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal
SMILESC[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-17(15-16-21)22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3/t17-/m0/s1
InChIKeyVTHDATLBSMPZON-KRWDZBQOSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.54
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 (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal (CID 11461566) is (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal is C[C@@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal?
The InChIKey is VTHDATLBSMPZON-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-17(15-16-21)22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal?
(3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal has a molecular weight of 326.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxybutanal is sourced from PubChem (CID 11461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).