2-ethyloxetane;4-methyloxet-2-one

C9H14O3 — CID 70143254

IUPAC2-ethyloxetane;4-methyloxet-2-one
SMILESCC1=CC(=O)O1.CCC1CCO1
InChIInChI=1S/C5H10O.C4H4O2/c1-2-5-3-4-6-5;1-3-2-4(5)6-3/h5H,2-4H2,1H3;2H,1H3
InChIKeyOXLWRLNSHADDHV-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds1

About 2-ethyloxetane;4-methyloxet-2-one

2-ethyloxetane;4-methyloxet-2-one (PubChem CID 70143254) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-ethyloxetane;4-methyloxet-2-one.

Molecular Properties

Compound Name2-ethyloxetane;4-methyloxet-2-one
PubChem CID70143254
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-ethyloxetane;4-methyloxet-2-one
SMILESCC1=CC(=O)O1.CCC1CCO1
InChIInChI=1S/C5H10O.C4H4O2/c1-2-5-3-4-6-5;1-3-2-4(5)6-3/h5H,2-4H2,1H3;2H,1H3
InChIKeyOXLWRLNSHADDHV-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxetane;4-methyloxet-2-one?
The IUPAC name of 2-ethyloxetane;4-methyloxet-2-one (CID 70143254) is 2-ethyloxetane;4-methyloxet-2-one.
What is the SMILES notation for 2-ethyloxetane;4-methyloxet-2-one?
The canonical SMILES for 2-ethyloxetane;4-methyloxet-2-one is CC1=CC(=O)O1.CCC1CCO1.
What is the InChIKey of 2-ethyloxetane;4-methyloxet-2-one?
The InChIKey is OXLWRLNSHADDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H4O2/c1-2-5-3-4-6-5;1-3-2-4(5)6-3/h5H,2-4H2,1H3;2H,1H3.
What are the key properties of 2-ethyloxetane;4-methyloxet-2-one?
2-ethyloxetane;4-methyloxet-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxetane;4-methyloxet-2-one is sourced from PubChem (CID 70143254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).