3,4-dimethylhexa-2,4-diene;uranium(2+)

C8H12U — CID 22085069

IUPAC3,4-dimethylhexa-2,4-diene;uranium(2+)
SMILESC/[C-]=C(C)/C(C)=[C-]/C.[U+2]
InChIInChI=1S/C8H12.U/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;+2
InChIKeyPTFZCOLWSYCPNR-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.53
Rot. Bonds1

About 3,4-dimethylhexa-2,4-diene;uranium(2+)

3,4-dimethylhexa-2,4-diene;uranium(2+) (PubChem CID 22085069) has the molecular formula C8H12U and a molecular weight of 346.21 g/mol. Its IUPAC name is 3,4-dimethylhexa-2,4-diene;uranium(2+).

Molecular Properties

Compound Name3,4-dimethylhexa-2,4-diene;uranium(2+)
PubChem CID22085069
Molecular FormulaC8H12U
Molecular Weight346.21 g/mol
Exact Mass346.14
IUPAC Name3,4-dimethylhexa-2,4-diene;uranium(2+)
SMILESC/[C-]=C(C)/C(C)=[C-]/C.[U+2]
InChIInChI=1S/C8H12.U/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;+2
InChIKeyPTFZCOLWSYCPNR-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.53
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'}

Analyze 3,4-dimethylhexa-2,4-diene;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhexa-2,4-diene;uranium(2+)?
The IUPAC name of 3,4-dimethylhexa-2,4-diene;uranium(2+) (CID 22085069) is 3,4-dimethylhexa-2,4-diene;uranium(2+).
What is the SMILES notation for 3,4-dimethylhexa-2,4-diene;uranium(2+)?
The canonical SMILES for 3,4-dimethylhexa-2,4-diene;uranium(2+) is C/[C-]=C(C)/C(C)=[C-]/C.[U+2].
What is the InChIKey of 3,4-dimethylhexa-2,4-diene;uranium(2+)?
The InChIKey is PTFZCOLWSYCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.U/c1-5-7(3)8(4)6-2;/h1-4H3;/q-2;+2.
What are the key properties of 3,4-dimethylhexa-2,4-diene;uranium(2+)?
3,4-dimethylhexa-2,4-diene;uranium(2+) has a molecular weight of 346.21 g/mol, XLogP of 2.53, 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;uranium(2+) is sourced from PubChem (CID 22085069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).