(1E)-1-iodo-2,6-dimethylhepta-1,5-diene

C9H15I — CID 11357128

IUPAC(1E)-1-iodo-2,6-dimethylhepta-1,5-diene
SMILESCC(C)=CCC/C(C)=C/I
InChIInChI=1S/C9H15I/c1-8(2)5-4-6-9(3)7-10/h5,7H,4,6H2,1-3H3/b9-7+
InChIKeyLMNJGCYISRUIOK-VQHVLOKHSA-N
MW250.12 g/mol
LogP4.07
Rot. Bonds3

About (1E)-1-iodo-2,6-dimethylhepta-1,5-diene

(1E)-1-iodo-2,6-dimethylhepta-1,5-diene (PubChem CID 11357128) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (1E)-1-iodo-2,6-dimethylhepta-1,5-diene.

Molecular Properties

Compound Name(1E)-1-iodo-2,6-dimethylhepta-1,5-diene
PubChem CID11357128
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(1E)-1-iodo-2,6-dimethylhepta-1,5-diene
SMILESCC(C)=CCC/C(C)=C/I
InChIInChI=1S/C9H15I/c1-8(2)5-4-6-9(3)7-10/h5,7H,4,6H2,1-3H3/b9-7+
InChIKeyLMNJGCYISRUIOK-VQHVLOKHSA-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'}

Analyze (1E)-1-iodo-2,6-dimethylhepta-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-1-iodo-2,6-dimethylhepta-1,5-diene?
The IUPAC name of (1E)-1-iodo-2,6-dimethylhepta-1,5-diene (CID 11357128) is (1E)-1-iodo-2,6-dimethylhepta-1,5-diene.
What is the SMILES notation for (1E)-1-iodo-2,6-dimethylhepta-1,5-diene?
The canonical SMILES for (1E)-1-iodo-2,6-dimethylhepta-1,5-diene is CC(C)=CCC/C(C)=C/I.
What is the InChIKey of (1E)-1-iodo-2,6-dimethylhepta-1,5-diene?
The InChIKey is LMNJGCYISRUIOK-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15I/c1-8(2)5-4-6-9(3)7-10/h5,7H,4,6H2,1-3H3/b9-7+.
What are the key properties of (1E)-1-iodo-2,6-dimethylhepta-1,5-diene?
(1E)-1-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 (1E)-1-iodo-2,6-dimethylhepta-1,5-diene is sourced from PubChem (CID 11357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).