3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane

C7H12ClIO2 — CID 102607663

IUPAC3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane
SMILESCC(CCl)(CI)OC1COC1
InChIInChI=1S/C7H12ClIO2/c1-7(4-8,5-9)11-6-2-10-3-6/h6H,2-5H2,1H3
InChIKeyRURWVCIGUOINPL-UHFFFAOYSA-N
MW290.53 g/mol
LogP1.83
Rot. Bonds4

About 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane

3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane (PubChem CID 102607663) has the molecular formula C7H12ClIO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane.

Molecular Properties

Compound Name3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane
PubChem CID102607663
Molecular FormulaC7H12ClIO2
Molecular Weight290.53 g/mol
Exact Mass289.96
IUPAC Name3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane
SMILESCC(CCl)(CI)OC1COC1
InChIInChI=1S/C7H12ClIO2/c1-7(4-8,5-9)11-6-2-10-3-6/h6H,2-5H2,1H3
InChIKeyRURWVCIGUOINPL-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 51.83
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-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane?
The IUPAC name of 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane (CID 102607663) is 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane.
What is the SMILES notation for 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane?
The canonical SMILES for 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane is CC(CCl)(CI)OC1COC1.
What is the InChIKey of 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane?
The InChIKey is RURWVCIGUOINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClIO2/c1-7(4-8,5-9)11-6-2-10-3-6/h6H,2-5H2,1H3.
What are the key properties of 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane?
3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane has a molecular weight of 290.53 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-3-iodo-2-methylpropan-2-yl)oxyoxetane is sourced from PubChem (CID 102607663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).