2,3-dimethylpenta-1,4-diene;yttrium

C7H11Y- — CID 59888483

IUPAC2,3-dimethylpenta-1,4-diene;yttrium
SMILESC=[C-]C(C)C(=C)C.[Y]
InChIInChI=1S/C7H11.Y/c1-5-7(4)6(2)3;/h7H,1-2H2,3-4H3;/q-1;
InChIKeyFFQZRTBPTYBFOU-UHFFFAOYSA-N
MW184.07 g/mol
LogP2.19
Rot. Bonds2

About 2,3-dimethylpenta-1,4-diene;yttrium

2,3-dimethylpenta-1,4-diene;yttrium (PubChem CID 59888483) has the molecular formula C7H11Y- and a molecular weight of 184.07 g/mol. Its IUPAC name is 2,3-dimethylpenta-1,4-diene;yttrium.

Molecular Properties

Compound Name2,3-dimethylpenta-1,4-diene;yttrium
PubChem CID59888483
Molecular FormulaC7H11Y-
Molecular Weight184.07 g/mol
Exact Mass183.99
IUPAC Name2,3-dimethylpenta-1,4-diene;yttrium
SMILESC=[C-]C(C)C(=C)C.[Y]
InChIInChI=1S/C7H11.Y/c1-5-7(4)6(2)3;/h7H,1-2H2,3-4H3;/q-1;
InChIKeyFFQZRTBPTYBFOU-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpenta-1,4-diene;yttrium?
The IUPAC name of 2,3-dimethylpenta-1,4-diene;yttrium (CID 59888483) is 2,3-dimethylpenta-1,4-diene;yttrium.
What is the SMILES notation for 2,3-dimethylpenta-1,4-diene;yttrium?
The canonical SMILES for 2,3-dimethylpenta-1,4-diene;yttrium is C=[C-]C(C)C(=C)C.[Y].
What is the InChIKey of 2,3-dimethylpenta-1,4-diene;yttrium?
The InChIKey is FFQZRTBPTYBFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11.Y/c1-5-7(4)6(2)3;/h7H,1-2H2,3-4H3;/q-1;.
What are the key properties of 2,3-dimethylpenta-1,4-diene;yttrium?
2,3-dimethylpenta-1,4-diene;yttrium has a molecular weight of 184.07 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpenta-1,4-diene;yttrium is sourced from PubChem (CID 59888483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).