cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium

C16H14V-6 — CID 173359125

IUPACcyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium
SMILES[V].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-[c-]2cccc2)cc1
InChIInChI=1S/C11H9.C5H5.V/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;/h1-9H;1-5H;/q-1;-5;
InChIKeyNIFYREBKGUCJMF-UHFFFAOYSA-N
MW257.23 g/mol
LogP4.48
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium

cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium (PubChem CID 173359125) has the molecular formula C16H14V-6 and a molecular weight of 257.23 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium
PubChem CID173359125
Molecular FormulaC16H14V-6
Molecular Weight257.23 g/mol
Exact Mass257.06
IUPAC Namecyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium
SMILES[V].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-[c-]2cccc2)cc1
InChIInChI=1S/C11H9.C5H5.V/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;/h1-9H;1-5H;/q-1;-5;
InChIKeyNIFYREBKGUCJMF-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 54.48
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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Related Compounds

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
CID 174391548
1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
CID 174416169
bis((3,4-dimethylcyclopenta-2,4-dien-1-yl)benzene);zirconium(4+);dichloride
CID 87970973
5-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;cyclopentane;ruthenium
CID 173141727
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
CID 173329991
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;dichloronickel;iron
CID 87962798
1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
CID 87995622
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron
CID 175496162
cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron
CID 174876633
1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane
CID 174758255
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene;iron(2+)
CID 167432972

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium?
The IUPAC name of cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium (CID 173359125) is cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium?
The canonical SMILES for cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium is [V].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-[c-]2cccc2)cc1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium?
The InChIKey is NIFYREBKGUCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9.C5H5.V/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;/h1-9H;1-5H;/q-1;-5;.
What are the key properties of cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium?
cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium has a molecular weight of 257.23 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium is sourced from PubChem (CID 173359125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).