6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol

C28H34F2O2Si — CID 59750808

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol
SMILESCC(C)(C)[Si](OCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34F2O2Si/c1-28(2,3)33(23-13-7-4-8-14-23,24-15-9-5-10-16-24)32-20-12-6-11-17-27(31)25-21-22(29)18-19-26(25)30/h4-5,7-10,13-16,18-19,21,27,31H,6,11-12,17,20H2,1-3H3
InChIKeyUNPAJJZQRKNTEE-UHFFFAOYSA-N
MW468.66 g/mol
LogP6.14
Rot. Bonds10

About 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol

6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol (PubChem CID 59750808) has the molecular formula C28H34F2O2Si and a molecular weight of 468.66 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol
PubChem CID59750808
Molecular FormulaC28H34F2O2Si
Molecular Weight468.66 g/mol
Exact Mass468.23
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol
SMILESCC(C)(C)[Si](OCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34F2O2Si/c1-28(2,3)33(23-13-7-4-8-14-23,24-15-9-5-10-16-24)32-20-12-6-11-17-27(31)25-21-22(29)18-19-26(25)30/h4-5,7-10,13-16,18-19,21,27,31H,6,11-12,17,20H2,1-3H3
InChIKeyUNPAJJZQRKNTEE-UHFFFAOYSA-N
XLogP6.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol (CID 59750808) is 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol is CC(C)(C)[Si](OCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol?
The InChIKey is UNPAJJZQRKNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2O2Si/c1-28(2,3)33(23-13-7-4-8-14-23,24-15-9-5-10-16-24)32-20-12-6-11-17-27(31)25-21-22(29)18-19-26(25)30/h4-5,7-10,13-16,18-19,21,27,31H,6,11-12,17,20H2,1-3H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol?
6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol has a molecular weight of 468.66 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)hexan-1-ol is sourced from PubChem (CID 59750808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).