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

C21H28O2Si — CID 11013256

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
SMILESC[C@H](C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyHLGRQDBFYBVBCJ-SFHVURJKSA-N
MW340.54 g/mol
LogP3.79
Rot. Bonds7

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

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal (PubChem CID 11013256) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
PubChem CID11013256
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
SMILESC[C@H](C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyHLGRQDBFYBVBCJ-SFHVURJKSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.79
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'}

Analyze (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal (CID 11013256) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal is C[C@H](C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal?
The InChIKey is HLGRQDBFYBVBCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal?
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal has a molecular weight of 340.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal is sourced from PubChem (CID 11013256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).