3-[1-(iodomethyl)cyclohexyl]oxyoxetane

C10H17IO2 — CID 102607652

IUPAC3-[1-(iodomethyl)cyclohexyl]oxyoxetane
SMILESICC1(OC2COC2)CCCCC1
InChIInChI=1S/C10H17IO2/c11-8-10(4-2-1-3-5-10)13-9-6-12-7-9/h9H,1-8H2
InChIKeyNNWWOHIMSJJUCH-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.54
Rot. Bonds3

About 3-[1-(iodomethyl)cyclohexyl]oxyoxetane

3-[1-(iodomethyl)cyclohexyl]oxyoxetane (PubChem CID 102607652) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3-[1-(iodomethyl)cyclohexyl]oxyoxetane.

Molecular Properties

Compound Name3-[1-(iodomethyl)cyclohexyl]oxyoxetane
PubChem CID102607652
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name3-[1-(iodomethyl)cyclohexyl]oxyoxetane
SMILESICC1(OC2COC2)CCCCC1
InChIInChI=1S/C10H17IO2/c11-8-10(4-2-1-3-5-10)13-9-6-12-7-9/h9H,1-8H2
InChIKeyNNWWOHIMSJJUCH-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.54
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

3-Cyclohexyloxy-3-ethyl-2-methyloxetane
CID 68452137
3-Cyclohexyloxy-2-ethyl-2-methyloxetane
CID 151489410
3-Ethoxy-1-oxaspiro[3.5]nonane
CID 154091259
2-(1-Cyclohexyloxypropyl)-2-ethyloxetane
CID 174533850
2-(Iodomethyl)-1-oxaspiro[3.5]nonane
CID 24976409
3-{[1-(Iodomethyl)-4-propylcyclohexyl]oxy}oxetane
CID 102607671
3-{[4-Ethyl-1-(iodomethyl)cyclohexyl]oxy}oxetane
CID 102607687
3-{[1-(Iodomethyl)-4-methylcyclohexyl]oxy}oxetane
CID 102607700
3-{[1-(Iodomethyl)-3-methylcyclohexyl]oxy}oxetane
CID 102607712
1-(Iodomethyl)-1-[2-(3-methoxypropoxy)ethoxy]cyclohexane
CID 103180278
1-(Iodomethyl)-1-[3-(2-methoxyethoxy)propoxy]cyclohexane
CID 103405026
1-[(1-Ethoxypropan-2-yl)oxy]-1-(iodomethyl)-4-methylcyclohexane
CID 103490011

Frequently Asked Questions

What is the IUPAC name of 3-[1-(iodomethyl)cyclohexyl]oxyoxetane?
The IUPAC name of 3-[1-(iodomethyl)cyclohexyl]oxyoxetane (CID 102607652) is 3-[1-(iodomethyl)cyclohexyl]oxyoxetane.
What is the SMILES notation for 3-[1-(iodomethyl)cyclohexyl]oxyoxetane?
The canonical SMILES for 3-[1-(iodomethyl)cyclohexyl]oxyoxetane is ICC1(OC2COC2)CCCCC1.
What is the InChIKey of 3-[1-(iodomethyl)cyclohexyl]oxyoxetane?
The InChIKey is NNWWOHIMSJJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2/c11-8-10(4-2-1-3-5-10)13-9-6-12-7-9/h9H,1-8H2.
What are the key properties of 3-[1-(iodomethyl)cyclohexyl]oxyoxetane?
3-[1-(iodomethyl)cyclohexyl]oxyoxetane has a molecular weight of 296.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(iodomethyl)cyclohexyl]oxyoxetane is sourced from PubChem (CID 102607652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).