3-(chloromethyl)-2,4-diethyloxetane

C8H15ClO — CID 22160815

IUPAC3-(chloromethyl)-2,4-diethyloxetane
SMILESCCC1OC(CC)C1CCl
InChIInChI=1S/C8H15ClO/c1-3-7-6(5-9)8(4-2)10-7/h6-8H,3-5H2,1-2H3
InChIKeyFNUVOQBXTYOAFG-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.43
Rot. Bonds3

About 3-(chloromethyl)-2,4-diethyloxetane

3-(chloromethyl)-2,4-diethyloxetane (PubChem CID 22160815) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2,4-diethyloxetane.

Molecular Properties

Compound Name3-(chloromethyl)-2,4-diethyloxetane
PubChem CID22160815
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name3-(chloromethyl)-2,4-diethyloxetane
SMILESCCC1OC(CC)C1CCl
InChIInChI=1S/C8H15ClO/c1-3-7-6(5-9)8(4-2)10-7/h6-8H,3-5H2,1-2H3
InChIKeyFNUVOQBXTYOAFG-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,4-diethyloxetane?
The IUPAC name of 3-(chloromethyl)-2,4-diethyloxetane (CID 22160815) is 3-(chloromethyl)-2,4-diethyloxetane.
What is the SMILES notation for 3-(chloromethyl)-2,4-diethyloxetane?
The canonical SMILES for 3-(chloromethyl)-2,4-diethyloxetane is CCC1OC(CC)C1CCl.
What is the InChIKey of 3-(chloromethyl)-2,4-diethyloxetane?
The InChIKey is FNUVOQBXTYOAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-7-6(5-9)8(4-2)10-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2,4-diethyloxetane?
3-(chloromethyl)-2,4-diethyloxetane has a molecular weight of 162.66 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,4-diethyloxetane is sourced from PubChem (CID 22160815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).