3-(oxan-2-yl)oxiran-2-one

C7H10O3 — CID 173079645

IUPAC3-(oxan-2-yl)oxiran-2-one
SMILESO=C1OC1C1CCCCO1
InChIInChI=1S/C7H10O3/c8-7-6(10-7)5-3-1-2-4-9-5/h5-6H,1-4H2
InChIKeyHYMHPMVDXMURTD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds1

About 3-(oxan-2-yl)oxiran-2-one

3-(oxan-2-yl)oxiran-2-one (PubChem CID 173079645) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-(oxan-2-yl)oxiran-2-one.

Molecular Properties

Compound Name3-(oxan-2-yl)oxiran-2-one
PubChem CID173079645
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-(oxan-2-yl)oxiran-2-one
SMILESO=C1OC1C1CCCCO1
InChIInChI=1S/C7H10O3/c8-7-6(10-7)5-3-1-2-4-9-5/h5-6H,1-4H2
InChIKeyHYMHPMVDXMURTD-UHFFFAOYSA-N
XLogP0.48
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)oxiran-2-one?
The IUPAC name of 3-(oxan-2-yl)oxiran-2-one (CID 173079645) is 3-(oxan-2-yl)oxiran-2-one.
What is the SMILES notation for 3-(oxan-2-yl)oxiran-2-one?
The canonical SMILES for 3-(oxan-2-yl)oxiran-2-one is O=C1OC1C1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)oxiran-2-one?
The InChIKey is HYMHPMVDXMURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-6(10-7)5-3-1-2-4-9-5/h5-6H,1-4H2.
What are the key properties of 3-(oxan-2-yl)oxiran-2-one?
3-(oxan-2-yl)oxiran-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)oxiran-2-one is sourced from PubChem (CID 173079645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).