4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol

C20H25FO2Si — CID 66982894

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
SMILESCC(C)(C)[Si](OCC=C(F)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(21)16-22/h4-14,22H,15-16H2,1-3H3
InChIKeyAHILSSOBRWGUOF-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.41
Rot. Bonds6

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

4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol (PubChem CID 66982894) has the molecular formula C20H25FO2Si and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
PubChem CID66982894
Molecular FormulaC20H25FO2Si
Molecular Weight344.50 g/mol
Exact Mass344.16
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
SMILESCC(C)(C)[Si](OCC=C(F)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(21)16-22/h4-14,22H,15-16H2,1-3H3
InChIKeyAHILSSOBRWGUOF-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.41
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

tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
CID 10741121
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
[(2E,4S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-8-hydroxy-3,7-dimethylocta-2,6-dien-4-yl] acetate
CID 56600054
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol (CID 66982894) is 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol is CC(C)(C)[Si](OCC=C(F)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol?
The InChIKey is AHILSSOBRWGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-14-17(21)16-22/h4-14,22H,15-16H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol?
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol has a molecular weight of 344.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol is sourced from PubChem (CID 66982894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).