ethane;methanol;vanadium(2+)

C3H8OV — CID 21350446

IUPACethane;methanol;vanadium(2+)
SMILES[CH2-]C.[CH2-]O.[V+2]
InChIInChI=1S/C2H5.CH3O.V/c2*1-2;/h1H2,2H3;2H,1H2;/q2*-1;+2
InChIKeyABWUGNOOPMDNJZ-UHFFFAOYSA-N
MW111.04 g/mol
LogP0.99
Rot. Bonds

About ethane;methanol;vanadium(2+)

ethane;methanol;vanadium(2+) (PubChem CID 21350446) has the molecular formula C3H8OV and a molecular weight of 111.04 g/mol. Its IUPAC name is ethane;methanol;vanadium(2+).

Molecular Properties

Compound Nameethane;methanol;vanadium(2+)
PubChem CID21350446
Molecular FormulaC3H8OV
Molecular Weight111.04 g/mol
Exact Mass111.00
IUPAC Nameethane;methanol;vanadium(2+)
SMILES[CH2-]C.[CH2-]O.[V+2]
InChIInChI=1S/C2H5.CH3O.V/c2*1-2;/h1H2,2H3;2H,1H2;/q2*-1;+2
InChIKeyABWUGNOOPMDNJZ-UHFFFAOYSA-N
XLogP0.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.04
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethane;methanol;vanadium(2+)?
The IUPAC name of ethane;methanol;vanadium(2+) (CID 21350446) is ethane;methanol;vanadium(2+).
What is the SMILES notation for ethane;methanol;vanadium(2+)?
The canonical SMILES for ethane;methanol;vanadium(2+) is [CH2-]C.[CH2-]O.[V+2].
What is the InChIKey of ethane;methanol;vanadium(2+)?
The InChIKey is ABWUGNOOPMDNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.CH3O.V/c2*1-2;/h1H2,2H3;2H,1H2;/q2*-1;+2.
What are the key properties of ethane;methanol;vanadium(2+)?
ethane;methanol;vanadium(2+) has a molecular weight of 111.04 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;vanadium(2+) is sourced from PubChem (CID 21350446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).