1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide

C28H41I — CID 159765178

IUPAC1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide
SMILESCc1ccc(CCCC2CCCCC2)c(C)c1.Cc1ccc2c(c1)CCCC2.I
InChIInChI=1S/C17H26.C11H14.HI/c1-14-11-12-17(15(2)13-14)10-6-9-16-7-4-3-5-8-16;1-9-6-7-10-4-2-3-5-11(10)8-9;/h11-13,16H,3-10H2,1-2H3;6-8H,2-5H2,1H3;1H
InChIKeyKNUCOWMSIXWJCE-UHFFFAOYSA-N
MW504.54 g/mol
LogP8.70
Rot. Bonds4

About 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide

1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide (PubChem CID 159765178) has the molecular formula C28H41I and a molecular weight of 504.54 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide
PubChem CID159765178
Molecular FormulaC28H41I
Molecular Weight504.54 g/mol
Exact Mass504.23
IUPAC Name1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide
SMILESCc1ccc(CCCC2CCCCC2)c(C)c1.Cc1ccc2c(c1)CCCC2.I
InChIInChI=1S/C17H26.C11H14.HI/c1-14-11-12-17(15(2)13-14)10-6-9-16-7-4-3-5-8-16;1-9-6-7-10-4-2-3-5-11(10)8-9;/h11-13,16H,3-10H2,1-2H3;6-8H,2-5H2,1H3;1H
InChIKeyKNUCOWMSIXWJCE-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide 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 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide?
The IUPAC name of 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide (CID 159765178) is 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide?
The canonical SMILES for 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide is Cc1ccc(CCCC2CCCCC2)c(C)c1.Cc1ccc2c(c1)CCCC2.I.
What is the InChIKey of 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide?
The InChIKey is KNUCOWMSIXWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C11H14.HI/c1-14-11-12-17(15(2)13-14)10-6-9-16-7-4-3-5-8-16;1-9-6-7-10-4-2-3-5-11(10)8-9;/h11-13,16H,3-10H2,1-2H3;6-8H,2-5H2,1H3;1H.
What are the key properties of 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide?
1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide has a molecular weight of 504.54 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-2,4-dimethylbenzene;6-methyl-1,2,3,4-tetrahydronaphthalene;hydroiodide is sourced from PubChem (CID 159765178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).