5-(oxomethoxy)hexane-2,4-dione;yttrium

C7H9O4Y- — CID 59785998

IUPAC5-(oxomethoxy)hexane-2,4-dione;yttrium
SMILESCC(=O)CC(=O)C(C)O[C-]=O.[Y]
InChIInChI=1S/C7H9O4.Y/c1-5(9)3-7(10)6(2)11-4-8;/h6H,3H2,1-2H3;/q-1;
InChIKeyZWBCYRJZMGIWOD-UHFFFAOYSA-N
MW246.05 g/mol
LogP0.00
Rot. Bonds5

About 5-(oxomethoxy)hexane-2,4-dione;yttrium

5-(oxomethoxy)hexane-2,4-dione;yttrium (PubChem CID 59785998) has the molecular formula C7H9O4Y- and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-(oxomethoxy)hexane-2,4-dione;yttrium.

Molecular Properties

Compound Name5-(oxomethoxy)hexane-2,4-dione;yttrium
PubChem CID59785998
Molecular FormulaC7H9O4Y-
Molecular Weight246.05 g/mol
Exact Mass245.96
IUPAC Name5-(oxomethoxy)hexane-2,4-dione;yttrium
SMILESCC(=O)CC(=O)C(C)O[C-]=O.[Y]
InChIInChI=1S/C7H9O4.Y/c1-5(9)3-7(10)6(2)11-4-8;/h6H,3H2,1-2H3;/q-1;
InChIKeyZWBCYRJZMGIWOD-UHFFFAOYSA-N
XLogP0.00
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

copper 5-methylhexane-2,4-dione
CID 54598918
3,5-dioxohexan-2-yl prop-2-enoate
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CID 156702092
(5S)-5-methylheptane-2,4-dione
CID 59270261
2,6-dimethylheptane-3,5-dione;pentane-2,4-dione
CID 159905404
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
Lithium pentane-2,4-dione
CID 86735745
bis(pentane-2,4-dione);propan-2-ol;titanium
CID 175367620
pentane-2,4-dione;tris(propan-2-ol);titanium
CID 88807291
bis(pentane-2,4-dione);bis(propan-2-ol);zirconium
CID 157051776
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CID 18751461
alumane;bis(3-oxobutanoic acid);propan-2-ol
CID 175404831

Frequently Asked Questions

What is the IUPAC name of 5-(oxomethoxy)hexane-2,4-dione;yttrium?
The IUPAC name of 5-(oxomethoxy)hexane-2,4-dione;yttrium (CID 59785998) is 5-(oxomethoxy)hexane-2,4-dione;yttrium.
What is the SMILES notation for 5-(oxomethoxy)hexane-2,4-dione;yttrium?
The canonical SMILES for 5-(oxomethoxy)hexane-2,4-dione;yttrium is CC(=O)CC(=O)C(C)O[C-]=O.[Y].
What is the InChIKey of 5-(oxomethoxy)hexane-2,4-dione;yttrium?
The InChIKey is ZWBCYRJZMGIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O4.Y/c1-5(9)3-7(10)6(2)11-4-8;/h6H,3H2,1-2H3;/q-1;.
What are the key properties of 5-(oxomethoxy)hexane-2,4-dione;yttrium?
5-(oxomethoxy)hexane-2,4-dione;yttrium has a molecular weight of 246.05 g/mol, XLogP of 0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxomethoxy)hexane-2,4-dione;yttrium is sourced from PubChem (CID 59785998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).