bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)

C16H22V — CID 18368656

IUPACbis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C8H11.V/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyJYEYXWBXSXGDNU-UHFFFAOYSA-N
MW265.30 g/mol
LogP4.66
Rot. Bonds2

About bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)

bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+) (PubChem CID 18368656) has the molecular formula C16H22V and a molecular weight of 265.30 g/mol. Its IUPAC name is bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+).

Molecular Properties

Compound Namebis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)
PubChem CID18368656
Molecular FormulaC16H22V
Molecular Weight265.30 g/mol
Exact Mass265.12
IUPAC Namebis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)
SMILESCC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C8H11.V/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyJYEYXWBXSXGDNU-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)?
The IUPAC name of bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+) (CID 18368656) is bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+).
What is the SMILES notation for bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)?
The canonical SMILES for bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+) is CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[V+2].
What is the InChIKey of bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)?
The InChIKey is JYEYXWBXSXGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.V/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+)?
bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+) has a molecular weight of 265.30 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-ylcyclopenta-1,3-diene);vanadium(2+) is sourced from PubChem (CID 18368656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).