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

C20H26O2Si — CID 5461382

IUPAC(Z)-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-KHPPLWFESA-N
MW326.51 g/mol
LogP3.11
Rot. Bonds6

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

(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol (PubChem CID 5461382) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
PubChem CID5461382
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name(Z)-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-KHPPLWFESA-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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Related Compounds

Diphenyldimethoxysilane
CID 81284
Diphenyldiethoxysilane
CID 75705
Ethoxymethyldiphenylsilane
CID 74576
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Tert-butyl(3-iodopropoxy)diphenylsilane
CID 11177744
Tert-butyl(2-iodoethoxy)diphenylsilane
CID 11269862
3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
Dibutoxy(diphenyl)silane
CID 13637536
Diphenyl-dipropoxy-silane
CID 14324871
Ethanol, 2-(methyldiphenylsilyl)-
CID 170302
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol (CID 5461382) is (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol.
What is the SMILES notation for (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The canonical SMILES for (Z)-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 (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
The InChIKey is QSXJMUBUMUPQAR-KHPPLWFESA-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 (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol?
(Z)-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 (Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol is sourced from PubChem (CID 5461382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).