Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene

C₁₇H₂₆I₂V — CID 159630672

About Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene

Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene (PubChem CID 159630672) has the molecular formula C₁₇H₂₆I₂V and a molecular weight of 535.15 g/mol. Its IUPAC name is diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene.

Molecular Properties

• Compound Name: Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene
• PubChem CID: 159630672
• Molecular Formula: C₁₇H₂₆I₂V
• Molecular Weight: 535.15 g/mol
• Exact Mass: 534.96
• IUPAC Name: diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene
• SMILES: CC1(C)CC(C)(C)C2CC1C1C3C=CC(C3)C12.I[V]I
• InChI: InChI=1S/C17H26.2HI.V/c1-16(2)9-17(3,4)13-8-12(16)14-10-5-6-11(7-10)15(13)14;;;/h5-6,10-15H,7-9H2,1-4H3;2*1H;/q;;;+2/p-2
• InChIKey: MPBUNOGUBAXMMH-UHFFFAOYSA-L
• XLogP: 6.29
• TPSA: 0.00 Ų
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.15
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene?

The IUPAC name of Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene (CID 159630672) is diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene.

What is the SMILES notation for Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene?

The canonical SMILES for Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene is CC1(C)CC(C)(C)C2CC1C1C3C=CC(C3)C12.I[V]I.

What is the InChIKey of Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene?

The InChIKey is MPBUNOGUBAXMMH-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H26.2HI.V/c1-16(2)9-17(3,4)13-8-12(16)14-10-5-6-11(7-10)15(13)14;;;/h5-6,10-15H,7-9H2,1-4H3;2*1H;/q;;;+2/p-2.

What are the key properties of Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene?

Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene has a molecular weight of 535.15 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Diiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene is sourced from PubChem (CID 159630672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159630672 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.