1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane

C17H22F6O3 — CID 23405467

IUPAC1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane
SMILESC=CC12CCC(C(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)(CC1)CO2
InChIInChI=1S/C17H22F6O3/c1-2-14-8-6-13(7-9-14,11-25-14)15(16(18,19)20,17(21,22)23)26-12-5-3-4-10-24-12/h2,12H,1,3-11H2
InChIKeyYUPIVTOOGGUAGV-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.91
Rot. Bonds4

About 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane

1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane (PubChem CID 23405467) has the molecular formula C17H22F6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane
PubChem CID23405467
Molecular FormulaC17H22F6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC Name1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane
SMILESC=CC12CCC(C(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)(CC1)CO2
InChIInChI=1S/C17H22F6O3/c1-2-14-8-6-13(7-9-14,11-25-14)15(16(18,19)20,17(21,22)23)26-12-5-3-4-10-24-12/h2,12H,1,3-11H2
InChIKeyYUPIVTOOGGUAGV-UHFFFAOYSA-N
XLogP4.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-[(E)-prop-1-enoxy]oxane
CID 12835881
1,3,3-trimethyl-6-[2-(oxan-2-yloxy)but-3-en-2-yl]bicyclo[2.2.2]octan-2-one
CID 70570700
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
CID 163749083
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
CID 85265507
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
2-(4-methyloct-1-en-4-yloxy)oxane
CID 15877491
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-(1-cyclohexylprop-2-enoxy)oxane
CID 54027830

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane?
The IUPAC name of 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane (CID 23405467) is 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane?
The canonical SMILES for 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane is C=CC12CCC(C(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)(CC1)CO2.
What is the InChIKey of 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane?
The InChIKey is YUPIVTOOGGUAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O3/c1-2-14-8-6-13(7-9-14,11-25-14)15(16(18,19)20,17(21,22)23)26-12-5-3-4-10-24-12/h2,12H,1,3-11H2.
What are the key properties of 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane?
1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane has a molecular weight of 388.35 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[1,1,1,3,3,3-hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-2-oxabicyclo[2.2.2]octane is sourced from PubChem (CID 23405467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).