2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride

C8H14Cl3V- — CID 173025435

IUPAC2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
SMILESCCCC1=[C-]CC=C1.Cl.Cl.Cl.[V]
InChIInChI=1S/C8H11.3ClH.V/c1-2-5-8-6-3-4-7-8;;;;/h3,6H,2,4-5H2,1H3;3*1H;/q-1;;;;
InChIKeyOGTSSLUYSPBISR-UHFFFAOYSA-N
MW267.50 g/mol
LogP3.74
Rot. Bonds2

About 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride

2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride (PubChem CID 173025435) has the molecular formula C8H14Cl3V- and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride.

Molecular Properties

Compound Name2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
PubChem CID173025435
Molecular FormulaC8H14Cl3V-
Molecular Weight267.50 g/mol
Exact Mass265.96
IUPAC Name2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
SMILESCCCC1=[C-]CC=C1.Cl.Cl.Cl.[V]
InChIInChI=1S/C8H11.3ClH.V/c1-2-5-8-6-3-4-7-8;;;;/h3,6H,2,4-5H2,1H3;3*1H;/q-1;;;;
InChIKeyOGTSSLUYSPBISR-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 53.74
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

CID 173242746
CID 173242746
bis(2-propylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 86584684
tris(2-propylcyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22617465
hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
CID 174711388
CID 173063851
CID 173063851
hafnium(4+);bis(2-methylcyclopenta-1,3-diene);bis(2-propylcyclopenta-1,3-diene);zirconium(4+);tetrachloride
CID 173283679
bis(2-butylcyclopenta-1,3-diene);methylidenezirconium(2+);dihydrochloride
CID 87997533
manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
sodium 2-pentylcyclopenta-1,3-diene
CID 173389427
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296

Frequently Asked Questions

What is the IUPAC name of 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The IUPAC name of 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride (CID 173025435) is 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride.
What is the SMILES notation for 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The canonical SMILES for 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride is CCCC1=[C-]CC=C1.Cl.Cl.Cl.[V].
What is the InChIKey of 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride?
The InChIKey is OGTSSLUYSPBISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.3ClH.V/c1-2-5-8-6-3-4-7-8;;;;/h3,6H,2,4-5H2,1H3;3*1H;/q-1;;;;.
What are the key properties of 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride?
2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride has a molecular weight of 267.50 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride is sourced from PubChem (CID 173025435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).