cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride

C11H20Cl2PV- — CID 158115466

IUPACcyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride
SMILESCCP(CC)CC.[Cl-].[Cl-].[V+2].c1cc[cH-]c1
InChIInChI=1S/C6H15P.C5H5.2ClH.V/c1-4-7(5-2)6-3;1-2-4-5-3-1;;;/h4-6H2,1-3H3;1-5H;2*1H;/q;-1;;;+2/p-2
InChIKeyKFJLUHOWBIOEMO-UHFFFAOYSA-L
MW305.10 g/mol
LogP-2.06
Rot. Bonds3

About cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride

cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride (PubChem CID 158115466) has the molecular formula C11H20Cl2PV- and a molecular weight of 305.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride
PubChem CID158115466
Molecular FormulaC11H20Cl2PV-
Molecular Weight305.10 g/mol
Exact Mass304.01
IUPAC Namecyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride
SMILESCCP(CC)CC.[Cl-].[Cl-].[V+2].c1cc[cH-]c1
InChIInChI=1S/C6H15P.C5H5.2ClH.V/c1-4-7(5-2)6-3;1-2-4-5-3-1;;;/h4-6H2,1-3H3;1-5H;2*1H;/q;-1;;;+2/p-2
InChIKeyKFJLUHOWBIOEMO-UHFFFAOYSA-L
XLogP-2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride (CID 158115466) is cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride is CCP(CC)CC.[Cl-].[Cl-].[V+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride?
The InChIKey is KFJLUHOWBIOEMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15P.C5H5.2ClH.V/c1-4-7(5-2)6-3;1-2-4-5-3-1;;;/h4-6H2,1-3H3;1-5H;2*1H;/q;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride?
cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride has a molecular weight of 305.10 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;triethylphosphane;vanadium(2+);dichloride is sourced from PubChem (CID 158115466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).