3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)

C7H11OY2- — CID 59227676

IUPAC3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)
SMILESCC1=[C-]CC(C)CO1.[Y].[Y]
InChIInChI=1S/C7H11O.2Y/c1-6-3-4-7(2)8-5-6;;/h6H,3,5H2,1-2H3;;/q-1;;
InChIKeyMTMSYKJAECYRCG-UHFFFAOYSA-N
MW288.98 g/mol
LogP1.74
Rot. Bonds

About 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)

3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium) (PubChem CID 59227676) has the molecular formula C7H11OY2- and a molecular weight of 288.98 g/mol. Its IUPAC name is 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium).

Molecular Properties

Compound Name3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)
PubChem CID59227676
Molecular FormulaC7H11OY2-
Molecular Weight288.98 g/mol
Exact Mass288.89
IUPAC Name3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)
SMILESCC1=[C-]CC(C)CO1.[Y].[Y]
InChIInChI=1S/C7H11O.2Y/c1-6-3-4-7(2)8-5-6;;/h6H,3,5H2,1-2H3;;/q-1;;
InChIKeyMTMSYKJAECYRCG-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.98
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)?
The IUPAC name of 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium) (CID 59227676) is 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium).
What is the SMILES notation for 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)?
The canonical SMILES for 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium) is CC1=[C-]CC(C)CO1.[Y].[Y].
What is the InChIKey of 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)?
The InChIKey is MTMSYKJAECYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O.2Y/c1-6-3-4-7(2)8-5-6;;/h6H,3,5H2,1-2H3;;/q-1;;.
What are the key properties of 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)?
3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium) has a molecular weight of 288.98 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium) is sourced from PubChem (CID 59227676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).