[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite

C13H23IO2 — CID 139555769

IUPAC[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
SMILESCOC1CCC(C2CCC(OI)CC2)CC1
InChIInChI=1S/C13H23IO2/c1-15-12-6-2-10(3-7-12)11-4-8-13(16-14)9-5-11/h10-13H,2-9H2,1H3
InChIKeyCTNLZFIBNMHKAR-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.12
Rot. Bonds3

About [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite

[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite (PubChem CID 139555769) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite.

Molecular Properties

Compound Name[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
PubChem CID139555769
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
SMILESCOC1CCC(C2CCC(OI)CC2)CC1
InChIInChI=1S/C13H23IO2/c1-15-12-6-2-10(3-7-12)11-4-8-13(16-14)9-5-11/h10-13H,2-9H2,1H3
InChIKeyCTNLZFIBNMHKAR-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite?
The IUPAC name of [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite (CID 139555769) is [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite.
What is the SMILES notation for [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite?
The canonical SMILES for [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite is COC1CCC(C2CCC(OI)CC2)CC1.
What is the InChIKey of [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite?
The InChIKey is CTNLZFIBNMHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c1-15-12-6-2-10(3-7-12)11-4-8-13(16-14)9-5-11/h10-13H,2-9H2,1H3.
What are the key properties of [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite?
[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite has a molecular weight of 338.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite is sourced from PubChem (CID 139555769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).