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

C17H26I2V — CID 159630672

IUPACdiiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene
SMILESCC1(C)CC(C)(C)C2CC1C1C3C=CC(C3)C12.I[V]I
InChIInChI=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
InChIKeyMPBUNOGUBAXMMH-UHFFFAOYSA-L
MW535.15 g/mol
LogP6.29
Rot. Bonds

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 Namediiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene
PubChem CID159630672
Molecular FormulaC17H26I2V
Molecular Weight535.15 g/mol
Exact Mass534.96
IUPAC Namediiodovanadium;9,9,11,11-tetramethyltetracyclo[6.3.1.13,6.02,7]tridec-4-ene
SMILESCC1(C)CC(C)(C)C2CC1C1C3C=CC(C3)C12.I[V]I
InChIInChI=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
InChIKeyMPBUNOGUBAXMMH-UHFFFAOYSA-L
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.15
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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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).