1-(cyclohexen-1-ylperoxy)cyclohexene

C12H18O2 — CID 54070588

IUPAC1-(cyclohexen-1-ylperoxy)cyclohexene
SMILESC1=C(OOC2=CCCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyMGDMIHIUDQJWOA-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.85
Rot. Bonds3

About 1-(cyclohexen-1-ylperoxy)cyclohexene

1-(cyclohexen-1-ylperoxy)cyclohexene (PubChem CID 54070588) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylperoxy)cyclohexene.

Molecular Properties

Compound Name1-(cyclohexen-1-ylperoxy)cyclohexene
PubChem CID54070588
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(cyclohexen-1-ylperoxy)cyclohexene
SMILESC1=C(OOC2=CCCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyMGDMIHIUDQJWOA-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ylperoxy)cyclohexene?
The IUPAC name of 1-(cyclohexen-1-ylperoxy)cyclohexene (CID 54070588) is 1-(cyclohexen-1-ylperoxy)cyclohexene.
What is the SMILES notation for 1-(cyclohexen-1-ylperoxy)cyclohexene?
The canonical SMILES for 1-(cyclohexen-1-ylperoxy)cyclohexene is C1=C(OOC2=CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-ylperoxy)cyclohexene?
The InChIKey is MGDMIHIUDQJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2.
What are the key properties of 1-(cyclohexen-1-ylperoxy)cyclohexene?
1-(cyclohexen-1-ylperoxy)cyclohexene has a molecular weight of 194.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylperoxy)cyclohexene is sourced from PubChem (CID 54070588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).