(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol

C26H29FO2Si — CID 101266501

IUPAC(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C(\F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29FO2Si/c1-26(2,3)30(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-19-24(27)25(28)21-13-7-4-8-14-21/h4-19,25,28H,20H2,1-3H3/b24-19-
InChIKeyWEWJSLDFSGJABP-CLCOLTQESA-N
MW420.60 g/mol
LogP5.15
Rot. Bonds7

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

(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol (PubChem CID 101266501) has the molecular formula C26H29FO2Si and a molecular weight of 420.60 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol
PubChem CID101266501
Molecular FormulaC26H29FO2Si
Molecular Weight420.60 g/mol
Exact Mass420.19
IUPAC Name(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C(\F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29FO2Si/c1-26(2,3)30(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-19-24(27)25(28)21-13-7-4-8-14-21/h4-19,25,28H,20H2,1-3H3/b24-19-
InChIKeyWEWJSLDFSGJABP-CLCOLTQESA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol?
The IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol (CID 101266501) is (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol is CC(C)(C)[Si](OC/C=C(\F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol?
The InChIKey is WEWJSLDFSGJABP-CLCOLTQESA-N. The full InChI is InChI=1S/C26H29FO2Si/c1-26(2,3)30(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-19-24(27)25(28)21-13-7-4-8-14-21/h4-19,25,28H,20H2,1-3H3/b24-19-.
What are the key properties of (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol?
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol has a molecular weight of 420.60 g/mol, XLogP of 5.15, 7 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]oxy-2-fluoro-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 101266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).