2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium

C9H11O5Y- — CID 58666082

IUPAC2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium
SMILESCC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y]
InChIInChI=1S/C9H11O5.Y/c1-5-6(2)9(12)14-8(5)7(11)3-13-4-10;/h7-8,11H,3H2,1-2H3;/q-1;
InChIKeyQBAWNPJHSKYIJE-UHFFFAOYSA-N
MW288.09 g/mol
LogP-0.31
Rot. Bonds4

About 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium

2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium (PubChem CID 58666082) has the molecular formula C9H11O5Y- and a molecular weight of 288.09 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium.

Molecular Properties

Compound Name2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium
PubChem CID58666082
Molecular FormulaC9H11O5Y-
Molecular Weight288.09 g/mol
Exact Mass287.97
IUPAC Name2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium
SMILESCC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y]
InChIInChI=1S/C9H11O5.Y/c1-5-6(2)9(12)14-8(5)7(11)3-13-4-10;/h7-8,11H,3H2,1-2H3;/q-1;
InChIKeyQBAWNPJHSKYIJE-UHFFFAOYSA-N
XLogP-0.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium?
The IUPAC name of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium (CID 58666082) is 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium.
What is the SMILES notation for 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium?
The canonical SMILES for 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium is CC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y].
What is the InChIKey of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium?
The InChIKey is QBAWNPJHSKYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5.Y/c1-5-6(2)9(12)14-8(5)7(11)3-13-4-10;/h7-8,11H,3H2,1-2H3;/q-1;.
What are the key properties of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium?
2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium has a molecular weight of 288.09 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium is sourced from PubChem (CID 58666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).