2-(1-hydroperoxyethyl)oxolane

C6H12O3 — CID 59270511

IUPAC2-(1-hydroperoxyethyl)oxolane
SMILESCC(OO)C1CCCO1
InChIInChI=1S/C6H12O3/c1-5(9-7)6-3-2-4-8-6/h5-7H,2-4H2,1H3
InChIKeyCVGMWPBBQFWOFL-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.04
Rot. Bonds2

About 2-(1-hydroperoxyethyl)oxolane

2-(1-hydroperoxyethyl)oxolane (PubChem CID 59270511) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(1-hydroperoxyethyl)oxolane.

Molecular Properties

Compound Name2-(1-hydroperoxyethyl)oxolane
PubChem CID59270511
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(1-hydroperoxyethyl)oxolane
SMILESCC(OO)C1CCCO1
InChIInChI=1S/C6H12O3/c1-5(9-7)6-3-2-4-8-6/h5-7H,2-4H2,1H3
InChIKeyCVGMWPBBQFWOFL-UHFFFAOYSA-N
XLogP1.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroperoxyethyl)oxolane?
The IUPAC name of 2-(1-hydroperoxyethyl)oxolane (CID 59270511) is 2-(1-hydroperoxyethyl)oxolane.
What is the SMILES notation for 2-(1-hydroperoxyethyl)oxolane?
The canonical SMILES for 2-(1-hydroperoxyethyl)oxolane is CC(OO)C1CCCO1.
What is the InChIKey of 2-(1-hydroperoxyethyl)oxolane?
The InChIKey is CVGMWPBBQFWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(9-7)6-3-2-4-8-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-(1-hydroperoxyethyl)oxolane?
2-(1-hydroperoxyethyl)oxolane has a molecular weight of 132.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroperoxyethyl)oxolane is sourced from PubChem (CID 59270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).