bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)

C16H22O2V — CID 18368711

IUPACbis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)
SMILESCOC(C)C1=[C-]CC=C1.COC(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C8H11O.V/c2*1-7(9-2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyQAGIEXQEEGXIIK-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.42
Rot. Bonds4

About bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)

bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+) (PubChem CID 18368711) has the molecular formula C16H22O2V and a molecular weight of 297.29 g/mol. Its IUPAC name is bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+).

Molecular Properties

Compound Namebis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)
PubChem CID18368711
Molecular FormulaC16H22O2V
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Namebis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)
SMILESCOC(C)C1=[C-]CC=C1.COC(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C8H11O.V/c2*1-7(9-2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2
InChIKeyQAGIEXQEEGXIIK-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)?
The IUPAC name of bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+) (CID 18368711) is bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+).
What is the SMILES notation for bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)?
The canonical SMILES for bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+) is COC(C)C1=[C-]CC=C1.COC(C)C1=[C-]CC=C1.[V+2].
What is the InChIKey of bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)?
The InChIKey is QAGIEXQEEGXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11O.V/c2*1-7(9-2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+)?
bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+) has a molecular weight of 297.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1-methoxyethyl)cyclopenta-1,3-diene);vanadium(2+) is sourced from PubChem (CID 18368711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).