bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium

C22H37O3V-5 — CID 18368613

IUPACbis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[C-]1=CC=CC1.[V]
InChIInChI=1S/2C5H5.3C4H9O.V/c2*1-2-4-5-3-1;3*1-4(2,3)5;/h2*1-3H,4H2;3*1-3H3;/q5*-1;
InChIKeyDKVFHLZSLFVSLR-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.04
Rot. Bonds

About bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium

bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium (PubChem CID 18368613) has the molecular formula C22H37O3V-5 and a molecular weight of 400.48 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium
PubChem CID18368613
Molecular FormulaC22H37O3V-5
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Namebis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[C-]1=CC=CC1.[V]
InChIInChI=1S/2C5H5.3C4H9O.V/c2*1-2-4-5-3-1;3*1-4(2,3)5;/h2*1-3H,4H2;3*1-3H3;/q5*-1;
InChIKeyDKVFHLZSLFVSLR-UHFFFAOYSA-N
XLogP3.04
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 18368639
CID 18368639
CID 18667912
CID 18667912
CID 18760433
CID 18760433
CID 18781774
CID 18781774
CID 19611910
CID 19611910
CID 19611913
CID 19611913
CID 19611921
CID 19611921
CID 19611936
CID 19611936
CID 19693571
CID 19693571
CID 19693619
CID 19693619
CID 19693683
CID 19693683
CID 19695670
CID 19695670

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium?
The IUPAC name of bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium (CID 18368613) is bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium.
What is the SMILES notation for bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium?
The canonical SMILES for bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[C-]1=CC=CC1.[C-]1=CC=CC1.[V].
What is the InChIKey of bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium?
The InChIKey is DKVFHLZSLFVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.3C4H9O.V/c2*1-2-4-5-3-1;3*1-4(2,3)5;/h2*1-3H,4H2;3*1-3H3;/q5*-1;.
What are the key properties of bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium?
bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium has a molecular weight of 400.48 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);tris(2-methylpropan-2-olate);vanadium is sourced from PubChem (CID 18368613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).