copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate

C17H34CuF12N2O4Sb2 — CID 134919341

IUPACcopper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate
SMILESCC(C)(C1=N[C@H](C(C)(C)C)CO1)C1=N[C@H](C(C)(C)C)CO1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.O.O.[Cu+2]
InChIInChI=1S/C17H30N2O2.Cu.12FH.2H2O.2Sb/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6;;;;;;;;;;;;;;;;;/h11-12H,9-10H2,1-8H3;;12*1H;2*1H2;;/q;+2;;;;;;;;;;;;;;;2*+5/p-12/t11-,12-;;;;;;;;;;;;;;;;;/m0................./s1
InChIKeyIANFYZHDWFJOIL-VGGLZXRMSA-B
MW865.51 g/mol
LogP6.33
Rot. Bonds2

About copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate

copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate (PubChem CID 134919341) has the molecular formula C17H34CuF12N2O4Sb2 and a molecular weight of 865.51 g/mol. Its IUPAC name is copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate.

Molecular Properties

Compound Namecopper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate
PubChem CID134919341
Molecular FormulaC17H34CuF12N2O4Sb2
Molecular Weight865.51 g/mol
Exact Mass862.97
IUPAC Namecopper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate
SMILESCC(C)(C1=N[C@H](C(C)(C)C)CO1)C1=N[C@H](C(C)(C)C)CO1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.O.O.[Cu+2]
InChIInChI=1S/C17H30N2O2.Cu.12FH.2H2O.2Sb/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6;;;;;;;;;;;;;;;;;/h11-12H,9-10H2,1-8H3;;12*1H;2*1H2;;/q;+2;;;;;;;;;;;;;;;2*+5/p-12/t11-,12-;;;;;;;;;;;;;;;;;/m0................./s1
InChIKeyIANFYZHDWFJOIL-VGGLZXRMSA-B
XLogP6.33
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate?
The IUPAC name of copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate (CID 134919341) is copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate.
What is the SMILES notation for copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate?
The canonical SMILES for copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate is CC(C)(C1=N[C@H](C(C)(C)C)CO1)C1=N[C@H](C(C)(C)C)CO1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.O.O.[Cu+2].
What is the InChIKey of copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate?
The InChIKey is IANFYZHDWFJOIL-VGGLZXRMSA-B. The full InChI is InChI=1S/C17H30N2O2.Cu.12FH.2H2O.2Sb/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6;;;;;;;;;;;;;;;;;/h11-12H,9-10H2,1-8H3;;12*1H;2*1H2;;/q;+2;;;;;;;;;;;;;;;2*+5/p-12/t11-,12-;;;;;;;;;;;;;;;;;/m0................./s1.
What are the key properties of copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate?
copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate has a molecular weight of 865.51 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(hexafluoroantimony(1-));dihydrate is sourced from PubChem (CID 134919341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).