4-hydroxyheptane-3,5-dione;uranium

C7H12O3U — CID 59435078

IUPAC4-hydroxyheptane-3,5-dione;uranium
SMILESCCC(=O)C(O)C(=O)CC.[U]
InChIInChI=1S/C7H12O3.U/c1-3-5(8)7(10)6(9)4-2;/h7,10H,3-4H2,1-2H3;
InChIKeyLVUWNYUPUAHWMD-UHFFFAOYSA-N
MW382.20 g/mol
LogP0.31
Rot. Bonds4

About 4-hydroxyheptane-3,5-dione;uranium

4-hydroxyheptane-3,5-dione;uranium (PubChem CID 59435078) has the molecular formula C7H12O3U and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-hydroxyheptane-3,5-dione;uranium.

Molecular Properties

Compound Name4-hydroxyheptane-3,5-dione;uranium
PubChem CID59435078
Molecular FormulaC7H12O3U
Molecular Weight382.20 g/mol
Exact Mass382.13
IUPAC Name4-hydroxyheptane-3,5-dione;uranium
SMILESCCC(=O)C(O)C(=O)CC.[U]
InChIInChI=1S/C7H12O3.U/c1-3-5(8)7(10)6(9)4-2;/h7,10H,3-4H2,1-2H3;
InChIKeyLVUWNYUPUAHWMD-UHFFFAOYSA-N
XLogP0.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyheptane-3,5-dione;uranium?
The IUPAC name of 4-hydroxyheptane-3,5-dione;uranium (CID 59435078) is 4-hydroxyheptane-3,5-dione;uranium.
What is the SMILES notation for 4-hydroxyheptane-3,5-dione;uranium?
The canonical SMILES for 4-hydroxyheptane-3,5-dione;uranium is CCC(=O)C(O)C(=O)CC.[U].
What is the InChIKey of 4-hydroxyheptane-3,5-dione;uranium?
The InChIKey is LVUWNYUPUAHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.U/c1-3-5(8)7(10)6(9)4-2;/h7,10H,3-4H2,1-2H3;.
What are the key properties of 4-hydroxyheptane-3,5-dione;uranium?
4-hydroxyheptane-3,5-dione;uranium has a molecular weight of 382.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyheptane-3,5-dione;uranium is sourced from PubChem (CID 59435078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).