5-iodo-2,6-dimethylhepta-1,5-diene

C9H15I — CID 58872598

IUPAC5-iodo-2,6-dimethylhepta-1,5-diene
SMILESC=C(C)CCC(I)=C(C)C
InChIInChI=1S/C9H15I/c1-7(2)5-6-9(10)8(3)4/h1,5-6H2,2-4H3
InChIKeyOZYQNKHCKOJVCE-UHFFFAOYSA-N
MW250.12 g/mol
LogP4.07
Rot. Bonds3

About 5-iodo-2,6-dimethylhepta-1,5-diene

5-iodo-2,6-dimethylhepta-1,5-diene (PubChem CID 58872598) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is 5-iodo-2,6-dimethylhepta-1,5-diene.

Molecular Properties

Compound Name5-iodo-2,6-dimethylhepta-1,5-diene
PubChem CID58872598
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name5-iodo-2,6-dimethylhepta-1,5-diene
SMILESC=C(C)CCC(I)=C(C)C
InChIInChI=1S/C9H15I/c1-7(2)5-6-9(10)8(3)4/h1,5-6H2,2-4H3
InChIKeyOZYQNKHCKOJVCE-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 5-iodo-2,6-dimethylhepta-1,5-diene?
The IUPAC name of 5-iodo-2,6-dimethylhepta-1,5-diene (CID 58872598) is 5-iodo-2,6-dimethylhepta-1,5-diene.
What is the SMILES notation for 5-iodo-2,6-dimethylhepta-1,5-diene?
The canonical SMILES for 5-iodo-2,6-dimethylhepta-1,5-diene is C=C(C)CCC(I)=C(C)C.
What is the InChIKey of 5-iodo-2,6-dimethylhepta-1,5-diene?
The InChIKey is OZYQNKHCKOJVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I/c1-7(2)5-6-9(10)8(3)4/h1,5-6H2,2-4H3.
What are the key properties of 5-iodo-2,6-dimethylhepta-1,5-diene?
5-iodo-2,6-dimethylhepta-1,5-diene has a molecular weight of 250.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,6-dimethylhepta-1,5-diene is sourced from PubChem (CID 58872598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).