3-ethyloxetane

C5H10O — CID 529308

IUPAC3-ethyloxetane
SMILESCCC1COC1
InChIInChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3
InChIKeyCGRJJOYCFCCGPX-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds1

About 3-ethyloxetane

3-ethyloxetane (PubChem CID 529308) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 3-ethyloxetane.

Molecular Properties

Compound Name3-ethyloxetane
PubChem CID529308
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name3-ethyloxetane
SMILESCCC1COC1
InChIInChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3
InChIKeyCGRJJOYCFCCGPX-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyloxetane?
The IUPAC name of 3-ethyloxetane (CID 529308) is 3-ethyloxetane.
What is the SMILES notation for 3-ethyloxetane?
The canonical SMILES for 3-ethyloxetane is CCC1COC1.
What is the InChIKey of 3-ethyloxetane?
The InChIKey is CGRJJOYCFCCGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3.
What are the key properties of 3-ethyloxetane?
3-ethyloxetane has a molecular weight of 86.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxetane is sourced from PubChem (CID 529308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).