(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium

C17H32I+ — CID 140778800

IUPAC(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium
SMILESCC1CCC([I+]C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32I/c1-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(2,3)4/h13-16H,5-12H2,1-4H3/q+1
InChIKeyUAYWJJYBAXSLTD-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.26
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium

(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium (PubChem CID 140778800) has the molecular formula C17H32I+ and a molecular weight of 363.35 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium
PubChem CID140778800
Molecular FormulaC17H32I+
Molecular Weight363.35 g/mol
Exact Mass363.15
IUPAC Name(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium
SMILESCC1CCC([I+]C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32I/c1-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(2,3)4/h13-16H,5-12H2,1-4H3/q+1
InChIKeyUAYWJJYBAXSLTD-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
1,4-ditert-butylcycloheptane
CID 58579546
4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544060
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium (CID 140778800) is (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium is CC1CCC([I+]C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium?
The InChIKey is UAYWJJYBAXSLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32I/c1-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(2,3)4/h13-16H,5-12H2,1-4H3/q+1.
What are the key properties of (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium?
(4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium has a molecular weight of 363.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-methylcyclohexyl)iodanium is sourced from PubChem (CID 140778800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).