5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)

C11H13O2Y2- — CID 18720985

IUPAC5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)
SMILESCC1COC(c2cc[c-]cc2)OC1.[Y].[Y]
InChIInChI=1S/C11H13O2.2Y/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;;/h3-6,9,11H,7-8H2,1H3;;/q-1;;
InChIKeyGGGJWVYUYWLTHM-UHFFFAOYSA-N
MW355.04 g/mol
LogP2.16
Rot. Bonds1

About 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)

5-methyl-2-phenyl-1,3-dioxane;bis(yttrium) (PubChem CID 18720985) has the molecular formula C11H13O2Y2- and a molecular weight of 355.04 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium).

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)
PubChem CID18720985
Molecular FormulaC11H13O2Y2-
Molecular Weight355.04 g/mol
Exact Mass354.90
IUPAC Name5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)
SMILESCC1COC(c2cc[c-]cc2)OC1.[Y].[Y]
InChIInChI=1S/C11H13O2.2Y/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;;/h3-6,9,11H,7-8H2,1H3;;/q-1;;
InChIKeyGGGJWVYUYWLTHM-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.04
LogP ≤ 52.16
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 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)?
The IUPAC name of 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium) (CID 18720985) is 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium).
What is the SMILES notation for 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)?
The canonical SMILES for 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium) is CC1COC(c2cc[c-]cc2)OC1.[Y].[Y].
What is the InChIKey of 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)?
The InChIKey is GGGJWVYUYWLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.2Y/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;;/h3-6,9,11H,7-8H2,1H3;;/q-1;;.
What are the key properties of 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium)?
5-methyl-2-phenyl-1,3-dioxane;bis(yttrium) has a molecular weight of 355.04 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-dioxane;bis(yttrium) is sourced from PubChem (CID 18720985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).