4,5-diethyl-3,6-diiodoocta-3,5-diene

C12H20I2 — CID 71339615

IUPAC4,5-diethyl-3,6-diiodoocta-3,5-diene
SMILESCCC(I)=C(CC)C(CC)=C(I)CC
InChIInChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3
InChIKeyOQMGWWJOZTYWQP-UHFFFAOYSA-N
MW418.10 g/mol
LogP6.00
Rot. Bonds5

About 4,5-diethyl-3,6-diiodoocta-3,5-diene

4,5-diethyl-3,6-diiodoocta-3,5-diene (PubChem CID 71339615) has the molecular formula C12H20I2 and a molecular weight of 418.10 g/mol. Its IUPAC name is 4,5-diethyl-3,6-diiodoocta-3,5-diene.

Molecular Properties

Compound Name4,5-diethyl-3,6-diiodoocta-3,5-diene
PubChem CID71339615
Molecular FormulaC12H20I2
Molecular Weight418.10 g/mol
Exact Mass417.97
IUPAC Name4,5-diethyl-3,6-diiodoocta-3,5-diene
SMILESCCC(I)=C(CC)C(CC)=C(I)CC
InChIInChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3
InChIKeyOQMGWWJOZTYWQP-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.10
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The IUPAC name of 4,5-diethyl-3,6-diiodoocta-3,5-diene (CID 71339615) is 4,5-diethyl-3,6-diiodoocta-3,5-diene.
What is the SMILES notation for 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The canonical SMILES for 4,5-diethyl-3,6-diiodoocta-3,5-diene is CCC(I)=C(CC)C(CC)=C(I)CC.
What is the InChIKey of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
The InChIKey is OQMGWWJOZTYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2/c1-5-9(11(13)7-3)10(6-2)12(14)8-4/h5-8H2,1-4H3.
What are the key properties of 4,5-diethyl-3,6-diiodoocta-3,5-diene?
4,5-diethyl-3,6-diiodoocta-3,5-diene has a molecular weight of 418.10 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3,6-diiodoocta-3,5-diene is sourced from PubChem (CID 71339615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).