4-iodohepta-1,6-diene

C7H11I — CID 15946465

IUPAC4-iodohepta-1,6-diene
SMILESC=CCC(I)CC=C
InChIInChI=1S/C7H11I/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyJZLNWJVJFSFPLC-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.94
Rot. Bonds4

About 4-iodohepta-1,6-diene

4-iodohepta-1,6-diene (PubChem CID 15946465) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 4-iodohepta-1,6-diene.

Molecular Properties

Compound Name4-iodohepta-1,6-diene
PubChem CID15946465
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name4-iodohepta-1,6-diene
SMILESC=CCC(I)CC=C
InChIInChI=1S/C7H11I/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyJZLNWJVJFSFPLC-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 4-iodohepta-1,6-diene?
The IUPAC name of 4-iodohepta-1,6-diene (CID 15946465) is 4-iodohepta-1,6-diene.
What is the SMILES notation for 4-iodohepta-1,6-diene?
The canonical SMILES for 4-iodohepta-1,6-diene is C=CCC(I)CC=C.
What is the InChIKey of 4-iodohepta-1,6-diene?
The InChIKey is JZLNWJVJFSFPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-iodohepta-1,6-diene?
4-iodohepta-1,6-diene has a molecular weight of 222.07 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodohepta-1,6-diene is sourced from PubChem (CID 15946465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).