(1E)-1-iodoocta-1,7-diene

C8H13I — CID 87992839

IUPAC(1E)-1-iodoocta-1,7-diene
SMILESC=CCCCC/C=C/I
InChIInChI=1S/C8H13I/c1-2-3-4-5-6-7-8-9/h2,7-8H,1,3-6H2/b8-7+
InChIKeyCPRUCZLOZNTPAA-BQYQJAHWSA-N
MW236.10 g/mol
LogP3.68
Rot. Bonds5

About (1E)-1-iodoocta-1,7-diene

(1E)-1-iodoocta-1,7-diene (PubChem CID 87992839) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is (1E)-1-iodoocta-1,7-diene.

Molecular Properties

Compound Name(1E)-1-iodoocta-1,7-diene
PubChem CID87992839
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name(1E)-1-iodoocta-1,7-diene
SMILESC=CCCCC/C=C/I
InChIInChI=1S/C8H13I/c1-2-3-4-5-6-7-8-9/h2,7-8H,1,3-6H2/b8-7+
InChIKeyCPRUCZLOZNTPAA-BQYQJAHWSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 53.68
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-iodoocta-1,7-diene?
The IUPAC name of (1E)-1-iodoocta-1,7-diene (CID 87992839) is (1E)-1-iodoocta-1,7-diene.
What is the SMILES notation for (1E)-1-iodoocta-1,7-diene?
The canonical SMILES for (1E)-1-iodoocta-1,7-diene is C=CCCCC/C=C/I.
What is the InChIKey of (1E)-1-iodoocta-1,7-diene?
The InChIKey is CPRUCZLOZNTPAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13I/c1-2-3-4-5-6-7-8-9/h2,7-8H,1,3-6H2/b8-7+.
What are the key properties of (1E)-1-iodoocta-1,7-diene?
(1E)-1-iodoocta-1,7-diene has a molecular weight of 236.10 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-iodoocta-1,7-diene is sourced from PubChem (CID 87992839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).