cyclopenta-1,3-diene;ethane;vanadium;trichloride

C7H10Cl3V-5 — CID 173025504

IUPACcyclopenta-1,3-diene;ethane;vanadium;trichloride
SMILES[C-]1=CC=CC1.[CH2-]C.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C5H5.C2H5.3ClH.V/c1-2-4-5-3-1;1-2;;;;/h1-3H,4H2;1H2,2H3;3*1H;/q2*-1;;;;/p-3
InChIKeyANDAXSAXSCZFJP-UHFFFAOYSA-K
MW251.46 g/mol
LogP-6.84
Rot. Bonds

About cyclopenta-1,3-diene;ethane;vanadium;trichloride

cyclopenta-1,3-diene;ethane;vanadium;trichloride (PubChem CID 173025504) has the molecular formula C7H10Cl3V-5 and a molecular weight of 251.46 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;vanadium;trichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;vanadium;trichloride
PubChem CID173025504
Molecular FormulaC7H10Cl3V-5
Molecular Weight251.46 g/mol
Exact Mass249.93
IUPAC Namecyclopenta-1,3-diene;ethane;vanadium;trichloride
SMILES[C-]1=CC=CC1.[CH2-]C.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C5H5.C2H5.3ClH.V/c1-2-4-5-3-1;1-2;;;;/h1-3H,4H2;1H2,2H3;3*1H;/q2*-1;;;;/p-3
InChIKeyANDAXSAXSCZFJP-UHFFFAOYSA-K
XLogP-6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 5-6.84
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-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;vanadium;trichloride?
The IUPAC name of cyclopenta-1,3-diene;ethane;vanadium;trichloride (CID 173025504) is cyclopenta-1,3-diene;ethane;vanadium;trichloride.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;vanadium;trichloride?
The canonical SMILES for cyclopenta-1,3-diene;ethane;vanadium;trichloride is [C-]1=CC=CC1.[CH2-]C.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of cyclopenta-1,3-diene;ethane;vanadium;trichloride?
The InChIKey is ANDAXSAXSCZFJP-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C2H5.3ClH.V/c1-2-4-5-3-1;1-2;;;;/h1-3H,4H2;1H2,2H3;3*1H;/q2*-1;;;;/p-3.
What are the key properties of cyclopenta-1,3-diene;ethane;vanadium;trichloride?
cyclopenta-1,3-diene;ethane;vanadium;trichloride has a molecular weight of 251.46 g/mol, XLogP of -6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;vanadium;trichloride is sourced from PubChem (CID 173025504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).