3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane

C11H19IO2 — CID 102607700

IUPAC3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane
SMILESCC1CCC(CI)(OC2COC2)CC1
InChIInChI=1S/C11H19IO2/c1-9-2-4-11(8-12,5-3-9)14-10-6-13-7-10/h9-10H,2-8H2,1H3
InChIKeyGLZYLHYDVAVJBK-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.79
Rot. Bonds3

About 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane

3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane (PubChem CID 102607700) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane.

Molecular Properties

Compound Name3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane
PubChem CID102607700
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane
SMILESCC1CCC(CI)(OC2COC2)CC1
InChIInChI=1S/C11H19IO2/c1-9-2-4-11(8-12,5-3-9)14-10-6-13-7-10/h9-10H,2-8H2,1H3
InChIKeyGLZYLHYDVAVJBK-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane?
The IUPAC name of 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane (CID 102607700) is 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane.
What is the SMILES notation for 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane?
The canonical SMILES for 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane is CC1CCC(CI)(OC2COC2)CC1.
What is the InChIKey of 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane?
The InChIKey is GLZYLHYDVAVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-9-2-4-11(8-12,5-3-9)14-10-6-13-7-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane?
3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane has a molecular weight of 310.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(iodomethyl)-4-methylcyclohexyl]oxyoxetane is sourced from PubChem (CID 102607700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).