(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol

C26H28F2O2Si — CID 102228376

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C(/F)C(O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F2O2Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-18-24(28)25(29)20-14-16-21(27)17-15-20/h4-18,25,29H,19H2,1-3H3/b24-18+
InChIKeyQVLLOOCUMFLIME-HKOYGPOVSA-N
MW438.59 g/mol
LogP5.29
Rot. Bonds7

About (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol

(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol (PubChem CID 102228376) has the molecular formula C26H28F2O2Si and a molecular weight of 438.59 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
PubChem CID102228376
Molecular FormulaC26H28F2O2Si
Molecular Weight438.59 g/mol
Exact Mass438.18
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C(/F)C(O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F2O2Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-18-24(28)25(29)20-14-16-21(27)17-15-20/h4-18,25,29H,19H2,1-3H3/b24-18+
InChIKeyQVLLOOCUMFLIME-HKOYGPOVSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-[hydroxy(phenyl)methyl]hex-4-en-3-one
CID 15942434
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(Z,1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-chlorophenyl)-2-ethylpent-2-en-1-ol
CID 101480551
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
(E,1R,4R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-1-phenylhept-2-ene-1,5-diol
CID 71490044
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 101461761

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol (CID 102228376) is (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol is CC(C)(C)[Si](OC/C=C(/F)C(O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol?
The InChIKey is QVLLOOCUMFLIME-HKOYGPOVSA-N. The full InChI is InChI=1S/C26H28F2O2Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-18-24(28)25(29)20-14-16-21(27)17-15-20/h4-18,25,29H,19H2,1-3H3/b24-18+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol?
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol has a molecular weight of 438.59 g/mol, XLogP of 5.29, 7 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]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol is sourced from PubChem (CID 102228376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).