2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane

C13H23IO2 — CID 114772663

IUPAC2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
SMILESICC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h12H,1-11H2
InChIKeyGDBRIARFXJPUQP-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.71
Rot. Bonds4

About 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane

2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane (PubChem CID 114772663) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane.

Molecular Properties

Compound Name2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
PubChem CID114772663
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
SMILESICC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h12H,1-11H2
InChIKeyGDBRIARFXJPUQP-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

2-[[1-(iodomethyl)-3-methylcyclohexyl]oxymethyl]oxane
CID 114772658
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
2-[[4-tert-butyl-1-(iodomethyl)cyclohexyl]oxymethyl]oxolane
CID 114773000
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
4-(oxan-2-ylmethoxy)oxane-4-carboxylic acid
CID 114994237
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
oxan-2-ylmethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444618

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane?
The IUPAC name of 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane (CID 114772663) is 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane.
What is the SMILES notation for 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane?
The canonical SMILES for 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane is ICC1(OCC2CCCCO2)CCCCC1.
What is the InChIKey of 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane?
The InChIKey is GDBRIARFXJPUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h12H,1-11H2.
What are the key properties of 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane?
2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane has a molecular weight of 338.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane is sourced from PubChem (CID 114772663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).