1,4-dicyclohexyl-2,3-dihydroperoxybenzene

C18H26O4 — CID 21162802

IUPAC1,4-dicyclohexyl-2,3-dihydroperoxybenzene
SMILESOOc1c(C2CCCCC2)ccc(C2CCCCC2)c1OO
InChIInChI=1S/C18H26O4/c19-21-17-15(13-7-3-1-4-8-13)11-12-16(18(17)22-20)14-9-5-2-6-10-14/h11-14,19-20H,1-10H2
InChIKeyDNLGYBANWAEXOH-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.49
Rot. Bonds4

About 1,4-dicyclohexyl-2,3-dihydroperoxybenzene

1,4-dicyclohexyl-2,3-dihydroperoxybenzene (PubChem CID 21162802) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1,4-dicyclohexyl-2,3-dihydroperoxybenzene.

Molecular Properties

Compound Name1,4-dicyclohexyl-2,3-dihydroperoxybenzene
PubChem CID21162802
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1,4-dicyclohexyl-2,3-dihydroperoxybenzene
SMILESOOc1c(C2CCCCC2)ccc(C2CCCCC2)c1OO
InChIInChI=1S/C18H26O4/c19-21-17-15(13-7-3-1-4-8-13)11-12-16(18(17)22-20)14-9-5-2-6-10-14/h11-14,19-20H,1-10H2
InChIKeyDNLGYBANWAEXOH-UHFFFAOYSA-N
XLogP5.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,4-dicyclohexyl-2,3-dihydroperoxybenzene?
The IUPAC name of 1,4-dicyclohexyl-2,3-dihydroperoxybenzene (CID 21162802) is 1,4-dicyclohexyl-2,3-dihydroperoxybenzene.
What is the SMILES notation for 1,4-dicyclohexyl-2,3-dihydroperoxybenzene?
The canonical SMILES for 1,4-dicyclohexyl-2,3-dihydroperoxybenzene is OOc1c(C2CCCCC2)ccc(C2CCCCC2)c1OO.
What is the InChIKey of 1,4-dicyclohexyl-2,3-dihydroperoxybenzene?
The InChIKey is DNLGYBANWAEXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c19-21-17-15(13-7-3-1-4-8-13)11-12-16(18(17)22-20)14-9-5-2-6-10-14/h11-14,19-20H,1-10H2.
What are the key properties of 1,4-dicyclohexyl-2,3-dihydroperoxybenzene?
1,4-dicyclohexyl-2,3-dihydroperoxybenzene has a molecular weight of 306.40 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexyl-2,3-dihydroperoxybenzene is sourced from PubChem (CID 21162802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).