tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane

C28H53F3O2Si2 — CID 19835839

IUPACtert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
SMILESC=CCC1C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)=CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C28H53F3O2Si2/c1-10-16-25-23(19-21-26(25)33-35(11-2,12-3)13-4)18-20-24(17-14-15-22-28(29,30)31)32-34(8,9)27(5,6)7/h10,19,24-26H,1,11-18,20-22H2,2-9H3
InChIKeyVFUWVTWEJSFSPX-UHFFFAOYSA-N
MW534.90 g/mol
LogP10.19
Rot. Bonds16

About tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane

tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane (PubChem CID 19835839) has the molecular formula C28H53F3O2Si2 and a molecular weight of 534.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
PubChem CID19835839
Molecular FormulaC28H53F3O2Si2
Molecular Weight534.90 g/mol
Exact Mass534.35
IUPAC Nametert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
SMILESC=CCC1C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)=CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C28H53F3O2Si2/c1-10-16-25-23(19-21-26(25)33-35(11-2,12-3)13-4)18-20-24(17-14-15-22-28(29,30)31)32-34(8,9)27(5,6)7/h10,19,24-26H,1,11-18,20-22H2,2-9H3
InChIKeyVFUWVTWEJSFSPX-UHFFFAOYSA-N
XLogP10.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane (CID 19835839) is tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane is C=CCC1C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)=CCC1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane?
The InChIKey is VFUWVTWEJSFSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53F3O2Si2/c1-10-16-25-23(19-21-26(25)33-35(11-2,12-3)13-4)18-20-24(17-14-15-22-28(29,30)31)32-34(8,9)27(5,6)7/h10,19,24-26H,1,11-18,20-22H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane?
tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane has a molecular weight of 534.90 g/mol, XLogP of 10.19, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane is sourced from PubChem (CID 19835839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).