5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)

C22H32O2S2Y12-4 — CID 161268168

IUPAC5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)
SMILESCC1=CC[CH-]CO1.CC1=CC[CH-]CS1.CC1=CC[CH-]O1.CC1=CC[CH-]S1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H9O.C6H9S.C5H7O.C5H7S.12Y/c2*1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5;;;;;;;;;;;;/h2*3-4H,2,5H2,1H3;2*3-4H,2H2,1H3;;;;;;;;;;;;/q4*-1;;;;;;;;;;;;
InChIKeyAIZAQUKEOTZBSR-UHFFFAOYSA-N
MW1459.50 g/mol
LogP7.38
Rot. Bonds

About 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)

5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium) (PubChem CID 161268168) has the molecular formula C22H32O2S2Y12-4 and a molecular weight of 1459.50 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium).

Molecular Properties

Compound Name5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)
PubChem CID161268168
Molecular FormulaC22H32O2S2Y12-4
Molecular Weight1459.50 g/mol
Exact Mass1459.06
IUPAC Name5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)
SMILESCC1=CC[CH-]CO1.CC1=CC[CH-]CS1.CC1=CC[CH-]O1.CC1=CC[CH-]S1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H9O.C6H9S.C5H7O.C5H7S.12Y/c2*1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5;;;;;;;;;;;;/h2*3-4H,2,5H2,1H3;2*3-4H,2H2,1H3;;;;;;;;;;;;/q4*-1;;;;;;;;;;;;
InChIKeyAIZAQUKEOTZBSR-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.50
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)?
The IUPAC name of 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium) (CID 161268168) is 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium).
What is the SMILES notation for 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)?
The canonical SMILES for 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium) is CC1=CC[CH-]CO1.CC1=CC[CH-]CS1.CC1=CC[CH-]O1.CC1=CC[CH-]S1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)?
The InChIKey is AIZAQUKEOTZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.C6H9S.C5H7O.C5H7S.12Y/c2*1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5;;;;;;;;;;;;/h2*3-4H,2,5H2,1H3;2*3-4H,2H2,1H3;;;;;;;;;;;;/q4*-1;;;;;;;;;;;;.
What are the key properties of 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium)?
5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium) has a molecular weight of 1459.50 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrofuran-2-ide;6-methyl-3,4-dihydro-2H-pyran-3-ide;5-methyl-2,3-dihydrothiophen-2-ide;6-methyl-3,4-dihydro-2H-thiopyran-3-ide;dodecakis(yttrium) is sourced from PubChem (CID 161268168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).