4-hydroxybutan-2-one;vanadium

C4H7O2V- — CID 59796959

IUPAC4-hydroxybutan-2-one;vanadium
SMILESCC(=O)C[CH-]O.[V]
InChIInChI=1S/C4H7O2.V/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;
InChIKeyXCXDBNPDZNITJL-UHFFFAOYSA-N
MW138.04 g/mol
LogP0.50
Rot. Bonds2

About 4-hydroxybutan-2-one;vanadium

4-hydroxybutan-2-one;vanadium (PubChem CID 59796959) has the molecular formula C4H7O2V- and a molecular weight of 138.04 g/mol. Its IUPAC name is 4-hydroxybutan-2-one;vanadium.

Molecular Properties

Compound Name4-hydroxybutan-2-one;vanadium
PubChem CID59796959
Molecular FormulaC4H7O2V-
Molecular Weight138.04 g/mol
Exact Mass137.99
IUPAC Name4-hydroxybutan-2-one;vanadium
SMILESCC(=O)C[CH-]O.[V]
InChIInChI=1S/C4H7O2.V/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;
InChIKeyXCXDBNPDZNITJL-UHFFFAOYSA-N
XLogP0.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.04
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutan-2-one;yttrium
CID 58761109
butan-2-one;vanadium
CID 58623009
pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)
CID 158275345
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
hexane-2,5-dione
CID 8035
Lithium pentane-2,4-dione
CID 86735745
acetic acid;vanadium
CID 173443465
acetic acid;vanadium
CID 59299810
CID 15855332
CID 15855332
CID 159548628
CID 159548628
CID 87073525
CID 87073525

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutan-2-one;vanadium?
The IUPAC name of 4-hydroxybutan-2-one;vanadium (CID 59796959) is 4-hydroxybutan-2-one;vanadium.
What is the SMILES notation for 4-hydroxybutan-2-one;vanadium?
The canonical SMILES for 4-hydroxybutan-2-one;vanadium is CC(=O)C[CH-]O.[V].
What is the InChIKey of 4-hydroxybutan-2-one;vanadium?
The InChIKey is XCXDBNPDZNITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2.V/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;.
What are the key properties of 4-hydroxybutan-2-one;vanadium?
4-hydroxybutan-2-one;vanadium has a molecular weight of 138.04 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutan-2-one;vanadium is sourced from PubChem (CID 59796959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).