actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one

C7H10AcO3 — CID 59066609

IUPACactinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one
SMILESCC1=COC(CO)CC1=O.[Ac]
InChIInChI=1S/C7H10O3.Ac/c1-5-4-10-6(3-8)2-7(5)9;/h4,6,8H,2-3H2,1H3;
InChIKeyIBLOEUFDLGXCJP-UHFFFAOYSA-N
MW369.15 g/mol
LogP0.24
Rot. Bonds1

About actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one

actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one (PubChem CID 59066609) has the molecular formula C7H10AcO3 and a molecular weight of 369.15 g/mol. Its IUPAC name is actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Nameactinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one
PubChem CID59066609
Molecular FormulaC7H10AcO3
Molecular Weight369.15 g/mol
Exact Mass369.09
IUPAC Nameactinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one
SMILESCC1=COC(CO)CC1=O.[Ac]
InChIInChI=1S/C7H10O3.Ac/c1-5-4-10-6(3-8)2-7(5)9;/h4,6,8H,2-3H2,1H3;
InChIKeyIBLOEUFDLGXCJP-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one?
The IUPAC name of actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one (CID 59066609) is actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one is CC1=COC(CO)CC1=O.[Ac].
What is the InChIKey of actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one?
The InChIKey is IBLOEUFDLGXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.Ac/c1-5-4-10-6(3-8)2-7(5)9;/h4,6,8H,2-3H2,1H3;.
What are the key properties of actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one?
actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one has a molecular weight of 369.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(hydroxymethyl)-5-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 59066609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).