(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol

C20H28O3Si — CID 11725078

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol
SMILESCC(C)(C)[Si](OCC[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(22)16-21/h4-13,17,21-22H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyHOTHUPHQAFZSMY-KRWDZBQOSA-N
MW344.53 g/mol
LogP2.31
Rot. Bonds7

About (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol

(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol (PubChem CID 11725078) has the molecular formula C20H28O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol
PubChem CID11725078
Molecular FormulaC20H28O3Si
Molecular Weight344.53 g/mol
Exact Mass344.18
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol
SMILESCC(C)(C)[Si](OCC[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(22)16-21/h4-13,17,21-22H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyHOTHUPHQAFZSMY-KRWDZBQOSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol (CID 11725078) is (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol is CC(C)(C)[Si](OCC[C@H](O)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol?
The InChIKey is HOTHUPHQAFZSMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(22)16-21/h4-13,17,21-22H,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol?
(2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol has a molecular weight of 344.53 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,2-diol is sourced from PubChem (CID 11725078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).