2,2-dihydroperoxybicyclo[2.2.1]heptane

C7H12O4 — CID 134965328

IUPAC2,2-dihydroperoxybicyclo[2.2.1]heptane
SMILESOOC1(OO)CC2CCC1C2
InChIInChI=1S/C7H12O4/c8-10-7(11-9)4-5-1-2-6(7)3-5/h5-6,8-9H,1-4H2
InChIKeyWVGMRJSABKGXDT-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.48
Rot. Bonds2

About 2,2-dihydroperoxybicyclo[2.2.1]heptane

2,2-dihydroperoxybicyclo[2.2.1]heptane (PubChem CID 134965328) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-dihydroperoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-dihydroperoxybicyclo[2.2.1]heptane
PubChem CID134965328
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2,2-dihydroperoxybicyclo[2.2.1]heptane
SMILESOOC1(OO)CC2CCC1C2
InChIInChI=1S/C7H12O4/c8-10-7(11-9)4-5-1-2-6(7)3-5/h5-6,8-9H,1-4H2
InChIKeyWVGMRJSABKGXDT-UHFFFAOYSA-N
XLogP1.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2,2-dihydroperoxybicyclo[2.2.1]heptane?
The IUPAC name of 2,2-dihydroperoxybicyclo[2.2.1]heptane (CID 134965328) is 2,2-dihydroperoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-dihydroperoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-dihydroperoxybicyclo[2.2.1]heptane is OOC1(OO)CC2CCC1C2.
What is the InChIKey of 2,2-dihydroperoxybicyclo[2.2.1]heptane?
The InChIKey is WVGMRJSABKGXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-10-7(11-9)4-5-1-2-6(7)3-5/h5-6,8-9H,1-4H2.
What are the key properties of 2,2-dihydroperoxybicyclo[2.2.1]heptane?
2,2-dihydroperoxybicyclo[2.2.1]heptane has a molecular weight of 160.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroperoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 134965328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).