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

C9H11O5Y+2 — CID 23538079

IUPAC2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)
SMILESCC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y+3]
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;+3
InChIKeyIRCDFXHJZHFDOQ-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(3+)

2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+) (PubChem CID 23538079) has the molecular formula C9H11O5Y+2 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(3+).

Molecular Properties

Compound Name2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)
PubChem CID23538079
Molecular FormulaC9H11O5Y+2
Molecular Weight288.09 g/mol
Exact Mass287.97
IUPAC Name2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)
SMILESCC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y+3]
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;+3
InChIKeyIRCDFXHJZHFDOQ-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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Related Compounds

[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] formate
CID 23538080
N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide
CID 59088140
2-(1-hydroxy-2-trimethylsilyloxyethyl)-4-methyl-3-trimethylsilyloxy-2H-furan-5-one
CID 59470607
(2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one
CID 59814007
(5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane-2,3,4-trione
CID 90305836
5-(2-aminooxy-1-hydroxyethyl)oxolane-2,3,4-trione
CID 123765644
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] butanoate
CID 54751650
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] propanoate
CID 71656699
[2-hydroxy-2-(3-hydroxy-4-methoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54732327
(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
CID 54685948
2-(1,2-dihydroxyethyl)-3-[methoxy(methyl)phosphoryl]oxy-4-methyl-2H-furan-5-one;[2-(1,2-dihydroxyethyl)-3-methyl-5-oxo-2H-furan-4-yl] acetate;[2-(1,2-dihydroxyethyl)-4-methyl-5-oxo-2H-furan-3-yl] acetate;[2-(1,2-dihydroxyethyl)-3-methyl-5-oxo-2H-furan-4-yl] 2-oxopropanoate;[2-(1,2-dihydroxyethyl)-4-methyl-5-oxo-2H-furan-3-yl] 2-oxopropanoate
CID 158666986

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)?
The IUPAC name of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+) (CID 23538079) is 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+).
What is the SMILES notation for 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)?
The canonical SMILES for 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+) is CC1=C(C)C(C(O)CO[C-]=O)OC1=O.[Y+3].
What is the InChIKey of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)?
The InChIKey is IRCDFXHJZHFDOQ-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;+3.
What are the key properties of 2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+)?
2-[1-hydroxy-2-(oxomethoxy)ethyl]-3,4-dimethyl-2H-furan-5-one;yttrium(3+) 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(3+) is sourced from PubChem (CID 23538079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).