1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane

C13H23IO2 — CID 165493538

IUPAC1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
SMILESCOC1CCC(OC2CCCCC2I)CC1
InChIInChI=1S/C13H23IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h10-13H,2-9H2,1H3
InChIKeyXIAJLKJLNUMWCF-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.71
Rot. Bonds3

About 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane

1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane (PubChem CID 165493538) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
PubChem CID165493538
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
SMILESCOC1CCC(OC2CCCCC2I)CC1
InChIInChI=1S/C13H23IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h10-13H,2-9H2,1H3
InChIKeyXIAJLKJLNUMWCF-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
CID 114775186
1,2-dicyclopropyloxycyclohexane
CID 175423114
4-(2-iodocyclopentyl)oxyoxane
CID 114772305
1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
CID 114773596
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
methoxycyclooctane
CID 551195
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
(2-iodocyclododecyl)oxy-trimethylsilane
CID 12624042
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 70595713

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane?
The IUPAC name of 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane (CID 165493538) is 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane?
The canonical SMILES for 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane is COC1CCC(OC2CCCCC2I)CC1.
What is the InChIKey of 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane?
The InChIKey is XIAJLKJLNUMWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h10-13H,2-9H2,1H3.
What are the key properties of 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane?
1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane has a molecular weight of 338.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane is sourced from PubChem (CID 165493538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).