1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol

C22H28F2O2Si — CID 102342231

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
SMILESC=CC(F)(F)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28F2O2Si/c1-5-22(23,24)20(25)16-17-26-27(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20,25H,1,16-17H2,2-4H3
InChIKeyHAYJFUUOSQAWDD-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.14
Rot. Bonds8

About 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol

1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol (PubChem CID 102342231) has the molecular formula C22H28F2O2Si and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
PubChem CID102342231
Molecular FormulaC22H28F2O2Si
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
SMILESC=CC(F)(F)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28F2O2Si/c1-5-22(23,24)20(25)16-17-26-27(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20,25H,1,16-17H2,2-4H3
InChIKeyHAYJFUUOSQAWDD-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.14
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 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol (CID 102342231) is 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol is C=CC(F)(F)C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol?
The InChIKey is HAYJFUUOSQAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2O2Si/c1-5-22(23,24)20(25)16-17-26-27(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20,25H,1,16-17H2,2-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol?
1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol has a molecular weight of 390.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol is sourced from PubChem (CID 102342231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).