(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one

C15H3AlF18O6 — CID 16686025

IUPAC(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one
SMILESO=C(/C=C(\O[Al](O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C5H2F6O2.Al/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;
InChIKeyGEVTXESHPUFYIB-JVUUZWNBSA-K
MW648.13 g/mol
LogP5.75
Rot. Bonds9

About (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one

(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one (PubChem CID 16686025) has the molecular formula C15H3AlF18O6 and a molecular weight of 648.13 g/mol. Its IUPAC name is (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one
PubChem CID16686025
Molecular FormulaC15H3AlF18O6
Molecular Weight648.13 g/mol
Exact Mass647.95
IUPAC Name(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one
SMILESO=C(/C=C(\O[Al](O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C5H2F6O2.Al/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;
InChIKeyGEVTXESHPUFYIB-JVUUZWNBSA-K
XLogP5.75
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.13
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one with MolForge

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Related Compounds

tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium
CID 136623042
(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
CID 118327341
(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
CID 166460707
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
CID 11811257
(Z)-4-butan-2-yloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one;iron
CID 143646929
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
CID 6174066
tris(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);iron(3+)
CID 159734107
erbium;tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one)
CID 102601436
bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);nickel;hydrate
CID 118797553
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;(E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;manganese(2+)
CID 50909026
cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232

Frequently Asked Questions

What is the IUPAC name of (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The IUPAC name of (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one (CID 16686025) is (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one.
What is the SMILES notation for (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The canonical SMILES for (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one is O=C(/C=C(\O[Al](O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)O/C(=C\C(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The InChIKey is GEVTXESHPUFYIB-JVUUZWNBSA-K. The full InChI is InChI=1S/3C5H2F6O2.Al/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;.
What are the key properties of (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one has a molecular weight of 648.13 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one is sourced from PubChem (CID 16686025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).