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

C29H36F2O2Si — CID 59750887

IUPAC7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36F2O2Si/c1-29(2,3)34(24-14-8-6-9-15-24,25-16-10-7-11-17-25)33-21-13-5-4-12-18-28(32)26-22-23(30)19-20-27(26)31/h6-11,14-17,19-20,22,28,32H,4-5,12-13,18,21H2,1-3H3
InChIKeyNAQPYWWXUVHFAC-UHFFFAOYSA-N
MW482.69 g/mol
LogP6.53
Rot. Bonds11

About 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol

7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol (PubChem CID 59750887) has the molecular formula C29H36F2O2Si and a molecular weight of 482.69 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol
PubChem CID59750887
Molecular FormulaC29H36F2O2Si
Molecular Weight482.69 g/mol
Exact Mass482.25
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36F2O2Si/c1-29(2,3)34(24-14-8-6-9-15-24,25-16-10-7-11-17-25)33-21-13-5-4-12-18-28(32)26-22-23(30)19-20-27(26)31/h6-11,14-17,19-20,22,28,32H,4-5,12-13,18,21H2,1-3H3
InChIKeyNAQPYWWXUVHFAC-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 56.53
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 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol (CID 59750887) is 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol is CC(C)(C)[Si](OCCCCCCC(O)c1cc(F)ccc1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol?
The InChIKey is NAQPYWWXUVHFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2O2Si/c1-29(2,3)34(24-14-8-6-9-15-24,25-16-10-7-11-17-25)33-21-13-5-4-12-18-28(32)26-22-23(30)19-20-27(26)31/h6-11,14-17,19-20,22,28,32H,4-5,12-13,18,21H2,1-3H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol?
7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol has a molecular weight of 482.69 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxy-1-(2,5-difluorophenyl)heptan-1-ol is sourced from PubChem (CID 59750887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).