[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium

C7H8OWY-2 — CID 58021940

IUPAC[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium
SMILES[H]/[C-]=C/C(C[CH2-])=C(/O)C=[W].[Y]
InChIInChI=1S/C7H8O.W.Y/c1-4-7(5-2)6(3)8;;/h1,3-4,8H,2,5H2;;/q-2;;/b7-6-;;
InChIKeyFBSWLHZSRWISLI-AQTVDGORSA-N
MW380.89 g/mol
LogP1.36
Rot. Bonds3

About [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium

[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium (PubChem CID 58021940) has the molecular formula C7H8OWY-2 and a molecular weight of 380.89 g/mol. Its IUPAC name is [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium.

Molecular Properties

Compound Name[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium
PubChem CID58021940
Molecular FormulaC7H8OWY-2
Molecular Weight380.89 g/mol
Exact Mass380.92
IUPAC Name[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium
SMILES[H]/[C-]=C/C(C[CH2-])=C(/O)C=[W].[Y]
InChIInChI=1S/C7H8O.W.Y/c1-4-7(5-2)6(3)8;;/h1,3-4,8H,2,5H2;;/q-2;;/b7-6-;;
InChIKeyFBSWLHZSRWISLI-AQTVDGORSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium?
The IUPAC name of [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium (CID 58021940) is [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium.
What is the SMILES notation for [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium?
The canonical SMILES for [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium is [H]/[C-]=C/C(C[CH2-])=C(/O)C=[W].[Y].
What is the InChIKey of [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium?
The InChIKey is FBSWLHZSRWISLI-AQTVDGORSA-N. The full InChI is InChI=1S/C7H8O.W.Y/c1-4-7(5-2)6(3)8;;/h1,3-4,8H,2,5H2;;/q-2;;/b7-6-;;.
What are the key properties of [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium?
[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium has a molecular weight of 380.89 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium is sourced from PubChem (CID 58021940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).