ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium

C13H15O2Y- — CID 160726718

IUPACethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium
SMILESCC.CC1OC(=O)[C-]=C1c1ccccc1.[Y]
InChIInChI=1S/C11H9O2.C2H6.Y/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9;1-2;/h2-6,8H,1H3;1-2H3;/q-1;;
InChIKeyMRYIZBLPJAMULU-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.84
Rot. Bonds1

About ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium

ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium (PubChem CID 160726718) has the molecular formula C13H15O2Y- and a molecular weight of 292.17 g/mol. Its IUPAC name is ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium.

Molecular Properties

Compound Nameethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium
PubChem CID160726718
Molecular FormulaC13H15O2Y-
Molecular Weight292.17 g/mol
Exact Mass292.01
IUPAC Nameethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium
SMILESCC.CC1OC(=O)[C-]=C1c1ccccc1.[Y]
InChIInChI=1S/C11H9O2.C2H6.Y/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9;1-2;/h2-6,8H,1H3;1-2H3;/q-1;;
InChIKeyMRYIZBLPJAMULU-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.84
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 ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium?
The IUPAC name of ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium (CID 160726718) is ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium.
What is the SMILES notation for ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium?
The canonical SMILES for ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium is CC.CC1OC(=O)[C-]=C1c1ccccc1.[Y].
What is the InChIKey of ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium?
The InChIKey is MRYIZBLPJAMULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O2.C2H6.Y/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9;1-2;/h2-6,8H,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium?
ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium has a molecular weight of 292.17 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-phenyl-2,4-dihydrofuran-4-id-5-one;yttrium is sourced from PubChem (CID 160726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).