1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium

C15H19OY- — CID 59202618

IUPAC1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium
SMILESCC(C)=[C-]C(=O)CCc1cc(C)cc(C)c1.[Y]
InChIInChI=1S/C15H19O.Y/c1-11(2)7-15(16)6-5-14-9-12(3)8-13(4)10-14;/h8-10H,5-6H2,1-4H3;/q-1;
InChIKeyRSFZZNNEKQXFDZ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.57
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium

1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium (PubChem CID 59202618) has the molecular formula C15H19OY- and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium
PubChem CID59202618
Molecular FormulaC15H19OY-
Molecular Weight304.22 g/mol
Exact Mass304.05
IUPAC Name1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium
SMILESCC(C)=[C-]C(=O)CCc1cc(C)cc(C)c1.[Y]
InChIInChI=1S/C15H19O.Y/c1-11(2)7-15(16)6-5-14-9-12(3)8-13(4)10-14;/h8-10H,5-6H2,1-4H3;/q-1;
InChIKeyRSFZZNNEKQXFDZ-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium (CID 59202618) is 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium is CC(C)=[C-]C(=O)CCc1cc(C)cc(C)c1.[Y].
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium?
The InChIKey is RSFZZNNEKQXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O.Y/c1-11(2)7-15(16)6-5-14-9-12(3)8-13(4)10-14;/h8-10H,5-6H2,1-4H3;/q-1;.
What are the key properties of 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium?
1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium has a molecular weight of 304.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-methylhex-4-en-3-one;yttrium is sourced from PubChem (CID 59202618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).