2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium

C9H13O5Y- — CID 58083915

IUPAC2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium
SMILESCOC(CCC(C)=O)C(=O)OC[C-]=O.[Y]
InChIInChI=1S/C9H13O5.Y/c1-7(11)3-4-8(13-2)9(12)14-6-5-10;/h8H,3-4,6H2,1-2H3;/q-1;
InChIKeyLKBMBGCSZKMTDP-UHFFFAOYSA-N
MW290.10 g/mol
LogP0.02
Rot. Bonds7

About 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium

2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium (PubChem CID 58083915) has the molecular formula C9H13O5Y- and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium.

Molecular Properties

Compound Name2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium
PubChem CID58083915
Molecular FormulaC9H13O5Y-
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium
SMILESCOC(CCC(C)=O)C(=O)OC[C-]=O.[Y]
InChIInChI=1S/C9H13O5.Y/c1-7(11)3-4-8(13-2)9(12)14-6-5-10;/h8H,3-4,6H2,1-2H3;/q-1;
InChIKeyLKBMBGCSZKMTDP-UHFFFAOYSA-N
XLogP0.02
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 50.02
H-Bond Donors ≤ 50
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-oxoethyl 2-methoxy-5-oxohexanoate;yttrium?
The IUPAC name of 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium (CID 58083915) is 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium.
What is the SMILES notation for 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium?
The canonical SMILES for 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium is COC(CCC(C)=O)C(=O)OC[C-]=O.[Y].
What is the InChIKey of 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium?
The InChIKey is LKBMBGCSZKMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O5.Y/c1-7(11)3-4-8(13-2)9(12)14-6-5-10;/h8H,3-4,6H2,1-2H3;/q-1;.
What are the key properties of 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium?
2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium has a molecular weight of 290.10 g/mol, XLogP of 0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-methoxy-5-oxohexanoate;yttrium is sourced from PubChem (CID 58083915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).