2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane

C18H34I2 — CID 126746129

IUPAC2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane
SMILESCCC(I)(CCCCCCI)CC1CCCCC1(C)C
InChIInChI=1S/C18H34I2/c1-4-18(20,13-8-5-6-10-14-19)15-16-11-7-9-12-17(16,2)3/h16H,4-15H2,1-3H3
InChIKeyBVZVISCXLCLJFN-UHFFFAOYSA-N
MW504.28 g/mol
LogP7.56
Rot. Bonds9

About 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane

2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane (PubChem CID 126746129) has the molecular formula C18H34I2 and a molecular weight of 504.28 g/mol. Its IUPAC name is 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane
PubChem CID126746129
Molecular FormulaC18H34I2
Molecular Weight504.28 g/mol
Exact Mass504.07
IUPAC Name2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane
SMILESCCC(I)(CCCCCCI)CC1CCCCC1(C)C
InChIInChI=1S/C18H34I2/c1-4-18(20,13-8-5-6-10-14-19)15-16-11-7-9-12-17(16,2)3/h16H,4-15H2,1-3H3
InChIKeyBVZVISCXLCLJFN-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.28
LogP ≤ 57.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane?
The IUPAC name of 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane (CID 126746129) is 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane is CCC(I)(CCCCCCI)CC1CCCCC1(C)C.
What is the InChIKey of 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane?
The InChIKey is BVZVISCXLCLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34I2/c1-4-18(20,13-8-5-6-10-14-19)15-16-11-7-9-12-17(16,2)3/h16H,4-15H2,1-3H3.
What are the key properties of 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane?
2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane has a molecular weight of 504.28 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2,8-diiodooctyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 126746129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).