2-(1-propoxyethyl)oxetane

C8H16O2 — CID 91472389

IUPAC2-(1-propoxyethyl)oxetane
SMILESCCCOC(C)C1CCO1
InChIInChI=1S/C8H16O2/c1-3-5-9-7(2)8-4-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyNCIAQMMOYUMKIK-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds4

About 2-(1-propoxyethyl)oxetane

2-(1-propoxyethyl)oxetane (PubChem CID 91472389) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(1-propoxyethyl)oxetane.

Molecular Properties

Compound Name2-(1-propoxyethyl)oxetane
PubChem CID91472389
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(1-propoxyethyl)oxetane
SMILESCCCOC(C)C1CCO1
InChIInChI=1S/C8H16O2/c1-3-5-9-7(2)8-4-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyNCIAQMMOYUMKIK-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propoxyethyl)oxetane?
The IUPAC name of 2-(1-propoxyethyl)oxetane (CID 91472389) is 2-(1-propoxyethyl)oxetane.
What is the SMILES notation for 2-(1-propoxyethyl)oxetane?
The canonical SMILES for 2-(1-propoxyethyl)oxetane is CCCOC(C)C1CCO1.
What is the InChIKey of 2-(1-propoxyethyl)oxetane?
The InChIKey is NCIAQMMOYUMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-9-7(2)8-4-6-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(1-propoxyethyl)oxetane?
2-(1-propoxyethyl)oxetane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propoxyethyl)oxetane is sourced from PubChem (CID 91472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).