3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane

C12H22O4 — CID 175374281

IUPAC3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane
SMILESCCC(OOC(CC)C1COC1)C1COC1
InChIInChI=1S/C12H22O4/c1-3-11(9-5-13-6-9)15-16-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyNZHUYAORSSMEDH-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.78
Rot. Bonds7

About 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane

3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane (PubChem CID 175374281) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane.

Molecular Properties

Compound Name3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane
PubChem CID175374281
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane
SMILESCCC(OOC(CC)C1COC1)C1COC1
InChIInChI=1S/C12H22O4/c1-3-11(9-5-13-6-9)15-16-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyNZHUYAORSSMEDH-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane?
The IUPAC name of 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane (CID 175374281) is 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane.
What is the SMILES notation for 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane?
The canonical SMILES for 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane is CCC(OOC(CC)C1COC1)C1COC1.
What is the InChIKey of 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane?
The InChIKey is NZHUYAORSSMEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-11(9-5-13-6-9)15-16-12(4-2)10-7-14-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane?
3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane has a molecular weight of 230.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane is sourced from PubChem (CID 175374281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).