2-(1-adamantylperoxy)oxolane

C14H22O3 — CID 71456972

IUPAC2-(1-adamantylperoxy)oxolane
SMILESC1COC(OOC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C14H22O3/c1-2-13(15-3-1)16-17-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,1-9H2
InChIKeyOFEBAWDMTLDPGL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds3

About 2-(1-adamantylperoxy)oxolane

2-(1-adamantylperoxy)oxolane (PubChem CID 71456972) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-adamantylperoxy)oxolane.

Molecular Properties

Compound Name2-(1-adamantylperoxy)oxolane
PubChem CID71456972
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(1-adamantylperoxy)oxolane
SMILESC1COC(OOC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C14H22O3/c1-2-13(15-3-1)16-17-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,1-9H2
InChIKeyOFEBAWDMTLDPGL-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
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-adamantylperoxy)oxolane?
The IUPAC name of 2-(1-adamantylperoxy)oxolane (CID 71456972) is 2-(1-adamantylperoxy)oxolane.
What is the SMILES notation for 2-(1-adamantylperoxy)oxolane?
The canonical SMILES for 2-(1-adamantylperoxy)oxolane is C1COC(OOC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2-(1-adamantylperoxy)oxolane?
The InChIKey is OFEBAWDMTLDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-13(15-3-1)16-17-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,1-9H2.
What are the key properties of 2-(1-adamantylperoxy)oxolane?
2-(1-adamantylperoxy)oxolane has a molecular weight of 238.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylperoxy)oxolane is sourced from PubChem (CID 71456972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).