2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium

C22H16Cl4I3O3V — CID 158460761

IUPAC2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium
SMILESI[V](I)I.O=C1C2Cc3ccccc3C2C1(Cl)Cl.O=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2.C11H8Cl2O.3HI.V/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11(13)9-7-4-2-1-3-6(7)5-8(9)10(11)14;;;;/h1-4,8-9H,5H2;1-4,8-9H,5H2;3*1H;/q;;;;;+3/p-3
InChIKeyHFDIKFRJIKLTBV-UHFFFAOYSA-K
MW901.83 g/mol
LogP7.78
Rot. Bonds

About 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium

2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium (PubChem CID 158460761) has the molecular formula C22H16Cl4I3O3V and a molecular weight of 901.83 g/mol. Its IUPAC name is 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium.

Molecular Properties

Compound Name2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium
PubChem CID158460761
Molecular FormulaC22H16Cl4I3O3V
Molecular Weight901.83 g/mol
Exact Mass899.64
IUPAC Name2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium
SMILESI[V](I)I.O=C1C2Cc3ccccc3C2C1(Cl)Cl.O=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2.C11H8Cl2O.3HI.V/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11(13)9-7-4-2-1-3-6(7)5-8(9)10(11)14;;;;/h1-4,8-9H,5H2;1-4,8-9H,5H2;3*1H;/q;;;;;+3/p-3
InChIKeyHFDIKFRJIKLTBV-UHFFFAOYSA-K
XLogP7.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.83
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium?
The IUPAC name of 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium (CID 158460761) is 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium.
What is the SMILES notation for 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium?
The canonical SMILES for 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium is I[V](I)I.O=C1C2Cc3ccccc3C2C1(Cl)Cl.O=C1OC2Cc3ccccc3C2C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium?
The InChIKey is HFDIKFRJIKLTBV-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H8Cl2O2.C11H8Cl2O.3HI.V/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11(13)9-7-4-2-1-3-6(7)5-8(9)10(11)14;;;;/h1-4,8-9H,5H2;1-4,8-9H,5H2;3*1H;/q;;;;;+3/p-3.
What are the key properties of 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium?
2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium has a molecular weight of 901.83 g/mol, XLogP of 7.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one;triiodovanadium is sourced from PubChem (CID 158460761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).