2-(1-cyclohexyloxypropyl)-2-ethyloxetane

C14H26O2 — CID 174533850

IUPAC2-(1-cyclohexyloxypropyl)-2-ethyloxetane
SMILESCCC(OC1CCCCC1)C1(CC)CCO1
InChIInChI=1S/C14H26O2/c1-3-13(14(4-2)10-11-15-14)16-12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3
InChIKeyOAFIIJNETHBQBV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.68
Rot. Bonds5

About 2-(1-cyclohexyloxypropyl)-2-ethyloxetane

2-(1-cyclohexyloxypropyl)-2-ethyloxetane (PubChem CID 174533850) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(1-cyclohexyloxypropyl)-2-ethyloxetane.

Molecular Properties

Compound Name2-(1-cyclohexyloxypropyl)-2-ethyloxetane
PubChem CID174533850
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(1-cyclohexyloxypropyl)-2-ethyloxetane
SMILESCCC(OC1CCCCC1)C1(CC)CCO1
InChIInChI=1S/C14H26O2/c1-3-13(14(4-2)10-11-15-14)16-12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3
InChIKeyOAFIIJNETHBQBV-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyloxypropyl)-2-ethyloxetane?
The IUPAC name of 2-(1-cyclohexyloxypropyl)-2-ethyloxetane (CID 174533850) is 2-(1-cyclohexyloxypropyl)-2-ethyloxetane.
What is the SMILES notation for 2-(1-cyclohexyloxypropyl)-2-ethyloxetane?
The canonical SMILES for 2-(1-cyclohexyloxypropyl)-2-ethyloxetane is CCC(OC1CCCCC1)C1(CC)CCO1.
What is the InChIKey of 2-(1-cyclohexyloxypropyl)-2-ethyloxetane?
The InChIKey is OAFIIJNETHBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-13(14(4-2)10-11-15-14)16-12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1-cyclohexyloxypropyl)-2-ethyloxetane?
2-(1-cyclohexyloxypropyl)-2-ethyloxetane has a molecular weight of 226.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyloxypropyl)-2-ethyloxetane is sourced from PubChem (CID 174533850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).