actinium;1-methanidyloxy-3,3-dimethylbutan-2-one

C7H13AcO2- — CID 59116557

IUPACactinium;1-methanidyloxy-3,3-dimethylbutan-2-one
SMILES[Ac].[CH2-]OCC(=O)C(C)(C)C
InChIInChI=1S/C7H13O2.Ac/c1-7(2,3)6(8)5-9-4;/h4-5H2,1-3H3;/q-1;
InChIKeyXUCZCHOVZQHGNH-UHFFFAOYSA-N
MW356.18 g/mol
LogP1.41
Rot. Bonds2

About actinium;1-methanidyloxy-3,3-dimethylbutan-2-one

actinium;1-methanidyloxy-3,3-dimethylbutan-2-one (PubChem CID 59116557) has the molecular formula C7H13AcO2- and a molecular weight of 356.18 g/mol. Its IUPAC name is actinium;1-methanidyloxy-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Nameactinium;1-methanidyloxy-3,3-dimethylbutan-2-one
PubChem CID59116557
Molecular FormulaC7H13AcO2-
Molecular Weight356.18 g/mol
Exact Mass356.12
IUPAC Nameactinium;1-methanidyloxy-3,3-dimethylbutan-2-one
SMILES[Ac].[CH2-]OCC(=O)C(C)(C)C
InChIInChI=1S/C7H13O2.Ac/c1-7(2,3)6(8)5-9-4;/h4-5H2,1-3H3;/q-1;
InChIKeyXUCZCHOVZQHGNH-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 51.41
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 actinium;1-methanidyloxy-3,3-dimethylbutan-2-one?
The IUPAC name of actinium;1-methanidyloxy-3,3-dimethylbutan-2-one (CID 59116557) is actinium;1-methanidyloxy-3,3-dimethylbutan-2-one.
What is the SMILES notation for actinium;1-methanidyloxy-3,3-dimethylbutan-2-one?
The canonical SMILES for actinium;1-methanidyloxy-3,3-dimethylbutan-2-one is [Ac].[CH2-]OCC(=O)C(C)(C)C.
What is the InChIKey of actinium;1-methanidyloxy-3,3-dimethylbutan-2-one?
The InChIKey is XUCZCHOVZQHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.Ac/c1-7(2,3)6(8)5-9-4;/h4-5H2,1-3H3;/q-1;.
What are the key properties of actinium;1-methanidyloxy-3,3-dimethylbutan-2-one?
actinium;1-methanidyloxy-3,3-dimethylbutan-2-one has a molecular weight of 356.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-methanidyloxy-3,3-dimethylbutan-2-one is sourced from PubChem (CID 59116557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).