(1E,7E)-1,8-diiodoocta-1,7-diene

C8H12I2 — CID 10926523

IUPAC(1E,7E)-1,8-diiodoocta-1,7-diene
SMILESI/C=C/CCCC/C=C/I
InChIInChI=1S/C8H12I2/c9-7-5-3-1-2-4-6-8-10/h5-8H,1-4H2/b7-5+,8-6+
InChIKeyDOGGDNIRUTUAFD-KQQUZDAGSA-N
MW361.99 g/mol
LogP4.44
Rot. Bonds5

About (1E,7E)-1,8-diiodoocta-1,7-diene

(1E,7E)-1,8-diiodoocta-1,7-diene (PubChem CID 10926523) has the molecular formula C8H12I2 and a molecular weight of 361.99 g/mol. Its IUPAC name is (1E,7E)-1,8-diiodoocta-1,7-diene.

Molecular Properties

Compound Name(1E,7E)-1,8-diiodoocta-1,7-diene
PubChem CID10926523
Molecular FormulaC8H12I2
Molecular Weight361.99 g/mol
Exact Mass361.90
IUPAC Name(1E,7E)-1,8-diiodoocta-1,7-diene
SMILESI/C=C/CCCC/C=C/I
InChIInChI=1S/C8H12I2/c9-7-5-3-1-2-4-6-8-10/h5-8H,1-4H2/b7-5+,8-6+
InChIKeyDOGGDNIRUTUAFD-KQQUZDAGSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,7E)-1,8-diiodoocta-1,7-diene?
The IUPAC name of (1E,7E)-1,8-diiodoocta-1,7-diene (CID 10926523) is (1E,7E)-1,8-diiodoocta-1,7-diene.
What is the SMILES notation for (1E,7E)-1,8-diiodoocta-1,7-diene?
The canonical SMILES for (1E,7E)-1,8-diiodoocta-1,7-diene is I/C=C/CCCC/C=C/I.
What is the InChIKey of (1E,7E)-1,8-diiodoocta-1,7-diene?
The InChIKey is DOGGDNIRUTUAFD-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H12I2/c9-7-5-3-1-2-4-6-8-10/h5-8H,1-4H2/b7-5+,8-6+.
What are the key properties of (1E,7E)-1,8-diiodoocta-1,7-diene?
(1E,7E)-1,8-diiodoocta-1,7-diene has a molecular weight of 361.99 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-1,8-diiodoocta-1,7-diene is sourced from PubChem (CID 10926523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).