butan-2-one;vanadium

C4H7OV- — CID 58623009

IUPACbutan-2-one;vanadium
SMILES[CH2-]CC(C)=O.[V]
InChIInChI=1S/C4H7O.V/c1-3-4(2)5;/h1,3H2,2H3;/q-1;
InChIKeyAWMWLYZOYKNNKT-UHFFFAOYSA-N
MW122.04 g/mol
LogP0.80
Rot. Bonds1

About butan-2-one;vanadium

butan-2-one;vanadium (PubChem CID 58623009) has the molecular formula C4H7OV- and a molecular weight of 122.04 g/mol. Its IUPAC name is butan-2-one;vanadium.

Molecular Properties

Compound Namebutan-2-one;vanadium
PubChem CID58623009
Molecular FormulaC4H7OV-
Molecular Weight122.04 g/mol
Exact Mass121.99
IUPAC Namebutan-2-one;vanadium
SMILES[CH2-]CC(C)=O.[V]
InChIInChI=1S/C4H7O.V/c1-3-4(2)5;/h1,3H2,2H3;/q-1;
InChIKeyAWMWLYZOYKNNKT-UHFFFAOYSA-N
XLogP0.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.04
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)
CID 158275345
butan-2-one;bis(2,2-dimethylpropane)
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Lithium pentane-2,4-dione
CID 86735745
hexane-2,5-dione
CID 8035
butan-2-one;propan-2-one;uranium
CID 160776251
acetic acid;vanadium
CID 59299810
acetic acid;vanadium
CID 173443465
CID 15855332
CID 15855332
1-bromopropan-2-one;ethane
CID 171800976
CID 159548628
CID 159548628
bis(butan-2-one);methane
CID 160665705
CID 87073525
CID 87073525

Frequently Asked Questions

What is the IUPAC name of butan-2-one;vanadium?
The IUPAC name of butan-2-one;vanadium (CID 58623009) is butan-2-one;vanadium.
What is the SMILES notation for butan-2-one;vanadium?
The canonical SMILES for butan-2-one;vanadium is [CH2-]CC(C)=O.[V].
What is the InChIKey of butan-2-one;vanadium?
The InChIKey is AWMWLYZOYKNNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.V/c1-3-4(2)5;/h1,3H2,2H3;/q-1;.
What are the key properties of butan-2-one;vanadium?
butan-2-one;vanadium has a molecular weight of 122.04 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;vanadium is sourced from PubChem (CID 58623009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).