(6E)-9-iodo-2,6-dimethylnona-2,6-diene

C11H19I — CID 10731263

IUPAC(6E)-9-iodo-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCI
InChIInChI=1S/C11H19I/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyBQBJGEHZVHGXSS-DHZHZOJOSA-N
MW278.18 g/mol
LogP4.50
Rot. Bonds5

About (6E)-9-iodo-2,6-dimethylnona-2,6-diene

(6E)-9-iodo-2,6-dimethylnona-2,6-diene (PubChem CID 10731263) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is (6E)-9-iodo-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9-iodo-2,6-dimethylnona-2,6-diene
PubChem CID10731263
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name(6E)-9-iodo-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCI
InChIInChI=1S/C11H19I/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyBQBJGEHZVHGXSS-DHZHZOJOSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.50
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 (6E)-9-iodo-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9-iodo-2,6-dimethylnona-2,6-diene (CID 10731263) is (6E)-9-iodo-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9-iodo-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9-iodo-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C/CCI.
What is the InChIKey of (6E)-9-iodo-2,6-dimethylnona-2,6-diene?
The InChIKey is BQBJGEHZVHGXSS-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H19I/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+.
What are the key properties of (6E)-9-iodo-2,6-dimethylnona-2,6-diene?
(6E)-9-iodo-2,6-dimethylnona-2,6-diene has a molecular weight of 278.18 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-iodo-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 10731263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).