(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol

C20H26O2Si — CID 13181642

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C/CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-15,21H,16-17H2,1-3H3/b11-10+
InChIKeyQSXJMUBUMUPQAR-ZHACJKMWSA-N
MW326.51 g/mol
LogP3.11
Rot. Bonds6

About (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol

(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol (PubChem CID 13181642) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
PubChem CID13181642
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C/CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-15,21H,16-17H2,1-3H3/b11-10+
InChIKeyQSXJMUBUMUPQAR-ZHACJKMWSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol (CID 13181642) is (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol is CC(C)(C)[Si](OC/C=C/CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The InChIKey is QSXJMUBUMUPQAR-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-15,21H,16-17H2,1-3H3/b11-10+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol has a molecular weight of 326.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol is sourced from PubChem (CID 13181642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).