3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol

C28H55F3O3Si2 — CID 19836152

IUPAC3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
SMILESCC[Si](CC)(CC)OC1CC=C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)C1CCCO
InChIInChI=1S/C28H55F3O3Si2/c1-9-36(10-2,11-3)34-26-20-18-23(25(26)16-14-22-32)17-19-24(15-12-13-21-28(29,30)31)33-35(7,8)27(4,5)6/h18,24-26,32H,9-17,19-22H2,1-8H3
InChIKeyLZWWZPZPHZGZKJ-UHFFFAOYSA-N
MW552.91 g/mol
LogP9.39
Rot. Bonds17

About 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol

3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol (PubChem CID 19836152) has the molecular formula C28H55F3O3Si2 and a molecular weight of 552.91 g/mol. Its IUPAC name is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
PubChem CID19836152
Molecular FormulaC28H55F3O3Si2
Molecular Weight552.91 g/mol
Exact Mass552.36
IUPAC Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
SMILESCC[Si](CC)(CC)OC1CC=C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)C1CCCO
InChIInChI=1S/C28H55F3O3Si2/c1-9-36(10-2,11-3)34-26-20-18-23(25(26)16-14-22-32)17-19-24(15-12-13-21-28(29,30)31)33-35(7,8)27(4,5)6/h18,24-26,32H,9-17,19-22H2,1-8H3
InChIKeyLZWWZPZPHZGZKJ-UHFFFAOYSA-N
XLogP9.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.91
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol (CID 19836152) is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol is CC[Si](CC)(CC)OC1CC=C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)C1CCCO.
What is the InChIKey of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The InChIKey is LZWWZPZPHZGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55F3O3Si2/c1-9-36(10-2,11-3)34-26-20-18-23(25(26)16-14-22-32)17-19-24(15-12-13-21-28(29,30)31)33-35(7,8)27(4,5)6/h18,24-26,32H,9-17,19-22H2,1-8H3.
What are the key properties of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol has a molecular weight of 552.91 g/mol, XLogP of 9.39, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 19836152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).