3,13-diiodotrideca-1,2-diene

C13H22I2 — CID 90047143

IUPAC3,13-diiodotrideca-1,2-diene
SMILESC=C=C(I)CCCCCCCCCCI
InChIInChI=1S/C13H22I2/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h1,3-12H2
InChIKeyOZOMAAJOBRJMFJ-UHFFFAOYSA-N
MW432.13 g/mol
LogP6.04
Rot. Bonds10

About 3,13-diiodotrideca-1,2-diene

3,13-diiodotrideca-1,2-diene (PubChem CID 90047143) has the molecular formula C13H22I2 and a molecular weight of 432.13 g/mol. Its IUPAC name is 3,13-diiodotrideca-1,2-diene.

Molecular Properties

Compound Name3,13-diiodotrideca-1,2-diene
PubChem CID90047143
Molecular FormulaC13H22I2
Molecular Weight432.13 g/mol
Exact Mass431.98
IUPAC Name3,13-diiodotrideca-1,2-diene
SMILESC=C=C(I)CCCCCCCCCCI
InChIInChI=1S/C13H22I2/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h1,3-12H2
InChIKeyOZOMAAJOBRJMFJ-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.13
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,13-diiodotrideca-1,2-diene with MolForge

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

Launch Full Analysis

Related Compounds

1,11-diiodoundecane
CID 4060847
12-iodododecanamide
CID 54059305
29-iodononacosanoic acid
CID 87686347
6-iodohexanoic acid
CID 12827948
30-iodotriacontanoic acid
CID 87685904
25-iodopentacosanoic acid
CID 87683779
7-iodohepta-1,2-dien-3-ylsulfonylbenzene
CID 15751078
18-iodooctadecan-1-ol
CID 87686548
17-iodoheptadecan-1-ol
CID 87684669
36-iodohexatriacontan-1-ol
CID 87686395
6-iodohexaneperoxoic acid
CID 87969100
N-hydroxy-8-iodooctanamide
CID 87681195

Frequently Asked Questions

What is the IUPAC name of 3,13-diiodotrideca-1,2-diene?
The IUPAC name of 3,13-diiodotrideca-1,2-diene (CID 90047143) is 3,13-diiodotrideca-1,2-diene.
What is the SMILES notation for 3,13-diiodotrideca-1,2-diene?
The canonical SMILES for 3,13-diiodotrideca-1,2-diene is C=C=C(I)CCCCCCCCCCI.
What is the InChIKey of 3,13-diiodotrideca-1,2-diene?
The InChIKey is OZOMAAJOBRJMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22I2/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h1,3-12H2.
What are the key properties of 3,13-diiodotrideca-1,2-diene?
3,13-diiodotrideca-1,2-diene has a molecular weight of 432.13 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-diiodotrideca-1,2-diene is sourced from PubChem (CID 90047143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).