1-(cyclohexen-1-yloxyperoxy)cyclohexene

C12H18O3 — CID 141475375

IUPAC1-(cyclohexen-1-yloxyperoxy)cyclohexene
SMILESC1=C(OOOC2=CCCCC2)CCCC1
InChIInChI=1S/C12H18O3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyKRTONQNLYBWYMW-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.78
Rot. Bonds4

About 1-(cyclohexen-1-yloxyperoxy)cyclohexene

1-(cyclohexen-1-yloxyperoxy)cyclohexene (PubChem CID 141475375) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yloxyperoxy)cyclohexene.

Molecular Properties

Compound Name1-(cyclohexen-1-yloxyperoxy)cyclohexene
PubChem CID141475375
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(cyclohexen-1-yloxyperoxy)cyclohexene
SMILESC1=C(OOOC2=CCCCC2)CCCC1
InChIInChI=1S/C12H18O3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyKRTONQNLYBWYMW-UHFFFAOYSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.78
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 1-(cyclohexen-1-yloxyperoxy)cyclohexene?
The IUPAC name of 1-(cyclohexen-1-yloxyperoxy)cyclohexene (CID 141475375) is 1-(cyclohexen-1-yloxyperoxy)cyclohexene.
What is the SMILES notation for 1-(cyclohexen-1-yloxyperoxy)cyclohexene?
The canonical SMILES for 1-(cyclohexen-1-yloxyperoxy)cyclohexene is C1=C(OOOC2=CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yloxyperoxy)cyclohexene?
The InChIKey is KRTONQNLYBWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2.
What are the key properties of 1-(cyclohexen-1-yloxyperoxy)cyclohexene?
1-(cyclohexen-1-yloxyperoxy)cyclohexene has a molecular weight of 210.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yloxyperoxy)cyclohexene is sourced from PubChem (CID 141475375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).