3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane

C12H21IO2 — CID 102607687

IUPAC3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane
SMILESCCC1CCC(CI)(OC2COC2)CC1
InChIInChI=1S/C12H21IO2/c1-2-10-3-5-12(9-13,6-4-10)15-11-7-14-8-11/h10-11H,2-9H2,1H3
InChIKeyISPBTKUSPMZKTE-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.18
Rot. Bonds4

About 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane

3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane (PubChem CID 102607687) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane.

Molecular Properties

Compound Name3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane
PubChem CID102607687
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane
SMILESCCC1CCC(CI)(OC2COC2)CC1
InChIInChI=1S/C12H21IO2/c1-2-10-3-5-12(9-13,6-4-10)15-11-7-14-8-11/h10-11H,2-9H2,1H3
InChIKeyISPBTKUSPMZKTE-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.18
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

(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane
CID 162399724
2,7-Dimethyl-1-oxaspiro[3.5]nonane
CID 139429173
3-{[1-(Iodomethyl)-4-(propan-2-yl)cyclohexyl]oxy}oxetane
CID 102607639
3-{[1-(Iodomethyl)cyclohexyl]oxy}oxetane
CID 102607652
3-[4-Tert-butyl-1-(iodomethyl)cyclohexyl]oxyoxetane
CID 102607660
3-{[1-(Iodomethyl)-4-propylcyclohexyl]oxy}oxetane
CID 102607671
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]-4-propan-2-ylcyclohexane
CID 103180254
1-(Iodomethyl)-1-[2-(3-methoxypropoxy)ethoxy]-4-propylcyclohexane
CID 103180308
4-Ethyl-1-(iodomethyl)-1-[2-(3-methoxypropoxy)ethoxy]cyclohexane
CID 103180327
4-Ethyl-1-(iodomethyl)-1-(2-methylpentoxy)cyclohexane
CID 103285141

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane?
The IUPAC name of 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane (CID 102607687) is 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane.
What is the SMILES notation for 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane?
The canonical SMILES for 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane is CCC1CCC(CI)(OC2COC2)CC1.
What is the InChIKey of 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane?
The InChIKey is ISPBTKUSPMZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2/c1-2-10-3-5-12(9-13,6-4-10)15-11-7-14-8-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane?
3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane has a molecular weight of 324.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxyoxetane is sourced from PubChem (CID 102607687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).