3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane

C9H16O6 — CID 10656525

IUPAC3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane
SMILESC(CCC1OCOO1)CCC1OCOO1
InChIInChI=1S/C9H16O6/c1(2-4-8-10-6-12-14-8)3-5-9-11-7-13-15-9/h8-9H,1-7H2
InChIKeyQEZOIXBPRBMRQE-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.46
Rot. Bonds6

About 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane

3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane (PubChem CID 10656525) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane.

Molecular Properties

Compound Name3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane
PubChem CID10656525
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane
SMILESC(CCC1OCOO1)CCC1OCOO1
InChIInChI=1S/C9H16O6/c1(2-4-8-10-6-12-14-8)3-5-9-11-7-13-15-9/h8-9H,1-7H2
InChIKeyQEZOIXBPRBMRQE-UHFFFAOYSA-N
XLogP1.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane?
The IUPAC name of 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane (CID 10656525) is 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane.
What is the SMILES notation for 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane?
The canonical SMILES for 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane is C(CCC1OCOO1)CCC1OCOO1.
What is the InChIKey of 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane?
The InChIKey is QEZOIXBPRBMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1(2-4-8-10-6-12-14-8)3-5-9-11-7-13-15-9/h8-9H,1-7H2.
What are the key properties of 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane?
3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane has a molecular weight of 220.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,2,4-trioxolan-3-yl)pentyl]-1,2,4-trioxolane is sourced from PubChem (CID 10656525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).