4-ethyl-3,3-diiodododecane

C14H28I2 — CID 150472886

IUPAC4-ethyl-3,3-diiodododecane
SMILESCCCCCCCCC(CC)C(I)(I)CC
InChIInChI=1S/C14H28I2/c1-4-7-8-9-10-11-12-13(5-2)14(15,16)6-3/h13H,4-12H2,1-3H3
InChIKeyHSEMQXQJCTVCPB-UHFFFAOYSA-N
MW450.19 g/mol
LogP6.74
Rot. Bonds10

About 4-ethyl-3,3-diiodododecane

4-ethyl-3,3-diiodododecane (PubChem CID 150472886) has the molecular formula C14H28I2 and a molecular weight of 450.19 g/mol. Its IUPAC name is 4-ethyl-3,3-diiodododecane.

Molecular Properties

Compound Name4-ethyl-3,3-diiodododecane
PubChem CID150472886
Molecular FormulaC14H28I2
Molecular Weight450.19 g/mol
Exact Mass450.03
IUPAC Name4-ethyl-3,3-diiodododecane
SMILESCCCCCCCCC(CC)C(I)(I)CC
InChIInChI=1S/C14H28I2/c1-4-7-8-9-10-11-12-13(5-2)14(15,16)6-3/h13H,4-12H2,1-3H3
InChIKeyHSEMQXQJCTVCPB-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.19
LogP ≤ 56.74
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 4-ethyl-3,3-diiodododecane 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

3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
4-ethylundecane-3,3-diol
CID 156789030
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
3-ethyl-2-methylundecan-2-ol
CID 91236413
4-ethylnonane-3,3-diamine
CID 168918748
3-ethyl-2-methylnonan-2-amine
CID 175488413
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
3-(trimethoxymethyl)undecane
CID 150552650
9-tert-butylhenicosane
CID 150708915

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-diiodododecane?
The IUPAC name of 4-ethyl-3,3-diiodododecane (CID 150472886) is 4-ethyl-3,3-diiodododecane.
What is the SMILES notation for 4-ethyl-3,3-diiodododecane?
The canonical SMILES for 4-ethyl-3,3-diiodododecane is CCCCCCCCC(CC)C(I)(I)CC.
What is the InChIKey of 4-ethyl-3,3-diiodododecane?
The InChIKey is HSEMQXQJCTVCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28I2/c1-4-7-8-9-10-11-12-13(5-2)14(15,16)6-3/h13H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-3,3-diiodododecane?
4-ethyl-3,3-diiodododecane has a molecular weight of 450.19 g/mol, XLogP of 6.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-diiodododecane is sourced from PubChem (CID 150472886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).