tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)

C72H32F40Mo4O20 — CID 139081972

IUPACtetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.[Mo+2].[Mo+2].[Mo+2].[Mo+2]
InChIInChI=1S/8C7HF5O2.4C4H8O.4Mo/c8*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-5-3-1;;;;/h8*(H,13,14);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyKUNXEDYRZDDOHT-UHFFFAOYSA-F
MW2360.71 g/mol
LogP9.14
Rot. Bonds8

About tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)

tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate) (PubChem CID 139081972) has the molecular formula C72H32F40Mo4O20 and a molecular weight of 2360.71 g/mol. Its IUPAC name is tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate).

Molecular Properties

Compound Nametetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)
PubChem CID139081972
Molecular FormulaC72H32F40Mo4O20
Molecular Weight2360.71 g/mol
Exact Mass2367.71
IUPAC Nametetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.[Mo+2].[Mo+2].[Mo+2].[Mo+2]
InChIInChI=1S/8C7HF5O2.4C4H8O.4Mo/c8*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-5-3-1;;;;/h8*(H,13,14);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyKUNXEDYRZDDOHT-UHFFFAOYSA-F
XLogP9.14
TPSA357.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002360.71
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)?
The IUPAC name of tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate) (CID 139081972) is tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate).
What is the SMILES notation for tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)?
The canonical SMILES for tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.O=C([O-])c1c(F)c(F)c(F)c(F)c1F.[Mo+2].[Mo+2].[Mo+2].[Mo+2].
What is the InChIKey of tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)?
The InChIKey is KUNXEDYRZDDOHT-UHFFFAOYSA-F. The full InChI is InChI=1S/8C7HF5O2.4C4H8O.4Mo/c8*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-5-3-1;;;;/h8*(H,13,14);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8.
What are the key properties of tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate)?
tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate) has a molecular weight of 2360.71 g/mol, XLogP of 9.14, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(molybdenum(2+));oxolane;octakis(2,3,4,5,6-pentafluorobenzoate) is sourced from PubChem (CID 139081972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).