4-methoxypent-4-en-2-one;yttrium

C6H9O2Y- — CID 59553921

IUPAC4-methoxypent-4-en-2-one;yttrium
SMILESC=C([CH-]C(C)=O)OC.[Y]
InChIInChI=1S/C6H9O2.Y/c1-5(7)4-6(2)8-3;/h4H,2H2,1,3H3;/q-1;
InChIKeyXUXXMNMEULXTKE-UHFFFAOYSA-N
MW202.04 g/mol
LogP0.94
Rot. Bonds3

About 4-methoxypent-4-en-2-one;yttrium

4-methoxypent-4-en-2-one;yttrium (PubChem CID 59553921) has the molecular formula C6H9O2Y- and a molecular weight of 202.04 g/mol. Its IUPAC name is 4-methoxypent-4-en-2-one;yttrium.

Molecular Properties

Compound Name4-methoxypent-4-en-2-one;yttrium
PubChem CID59553921
Molecular FormulaC6H9O2Y-
Molecular Weight202.04 g/mol
Exact Mass201.97
IUPAC Name4-methoxypent-4-en-2-one;yttrium
SMILESC=C([CH-]C(C)=O)OC.[Y]
InChIInChI=1S/C6H9O2.Y/c1-5(7)4-6(2)8-3;/h4H,2H2,1,3H3;/q-1;
InChIKeyXUXXMNMEULXTKE-UHFFFAOYSA-N
XLogP0.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-4-en-2-one;yttrium?
The IUPAC name of 4-methoxypent-4-en-2-one;yttrium (CID 59553921) is 4-methoxypent-4-en-2-one;yttrium.
What is the SMILES notation for 4-methoxypent-4-en-2-one;yttrium?
The canonical SMILES for 4-methoxypent-4-en-2-one;yttrium is C=C([CH-]C(C)=O)OC.[Y].
What is the InChIKey of 4-methoxypent-4-en-2-one;yttrium?
The InChIKey is XUXXMNMEULXTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.Y/c1-5(7)4-6(2)8-3;/h4H,2H2,1,3H3;/q-1;.
What are the key properties of 4-methoxypent-4-en-2-one;yttrium?
4-methoxypent-4-en-2-one;yttrium has a molecular weight of 202.04 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-4-en-2-one;yttrium is sourced from PubChem (CID 59553921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).