3,4-dimethylhexa-2,4-diene;yttrium

C8H12Y-2 — CID 59118442

IUPAC3,4-dimethylhexa-2,4-diene;yttrium
SMILESC/[C-]=C(C)/C(C)=[C-]/C.[Y]
InChIInChI=1S/C8H12.Y/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;
InChIKeyCPAXVEOKBVRFOQ-UHFFFAOYSA-N
MW197.09 g/mol
LogP2.52
Rot. Bonds1

About 3,4-dimethylhexa-2,4-diene;yttrium

3,4-dimethylhexa-2,4-diene;yttrium (PubChem CID 59118442) has the molecular formula C8H12Y-2 and a molecular weight of 197.09 g/mol. Its IUPAC name is 3,4-dimethylhexa-2,4-diene;yttrium.

Molecular Properties

Compound Name3,4-dimethylhexa-2,4-diene;yttrium
PubChem CID59118442
Molecular FormulaC8H12Y-2
Molecular Weight197.09 g/mol
Exact Mass197.00
IUPAC Name3,4-dimethylhexa-2,4-diene;yttrium
SMILESC/[C-]=C(C)/C(C)=[C-]/C.[Y]
InChIInChI=1S/C8H12.Y/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;
InChIKeyCPAXVEOKBVRFOQ-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-Tetramethylcyclopentadiene
CID 138163
2,3,4,5-Tetramethylhexa-2,4-diene
CID 635468
1,2,3,4-Tetramethyl-1,3-cyclobutadiene
CID 189856
1,2,4-Trimethyl-3-(~2~H_3_)methylcyclopenta-1,3-diene
CID 71309507
1,2,3,4,5-Pentamethylborole
CID 134862348
Tetramethyl-germole
CID 6397636
1,1,2,3,4,5-Hexamethylgermole
CID 85607674
3,4-Dimethylhexa-2,4-diene;zirconium(2+)
CID 135043844
1,1,2,3,4,5-Hexamethylstannole
CID 135048636
CID 15771517
CID 15771517
CID 15771519
CID 15771519
Lithium 1,2,3-trimethylcyclopenta-1,3-diene
CID 18347737

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhexa-2,4-diene;yttrium?
The IUPAC name of 3,4-dimethylhexa-2,4-diene;yttrium (CID 59118442) is 3,4-dimethylhexa-2,4-diene;yttrium.
What is the SMILES notation for 3,4-dimethylhexa-2,4-diene;yttrium?
The canonical SMILES for 3,4-dimethylhexa-2,4-diene;yttrium is C/[C-]=C(C)/C(C)=[C-]/C.[Y].
What is the InChIKey of 3,4-dimethylhexa-2,4-diene;yttrium?
The InChIKey is CPAXVEOKBVRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Y/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;.
What are the key properties of 3,4-dimethylhexa-2,4-diene;yttrium?
3,4-dimethylhexa-2,4-diene;yttrium has a molecular weight of 197.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhexa-2,4-diene;yttrium is sourced from PubChem (CID 59118442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).