(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene

C8H12O4 — CID 12538215

IUPAC(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene
SMILESOOC1/C=C\C=C/C(OO)CC1
InChIInChI=1S/C8H12O4/c9-11-7-3-1-2-4-8(12-10)6-5-7/h1-4,7-10H,5-6H2/b3-1-,4-2-
InChIKeyPIBIVIAZZIKTQQ-CCAGOZQPSA-N
MW172.18 g/mol
LogP1.61
Rot. Bonds2

About (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene

(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene (PubChem CID 12538215) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene
PubChem CID12538215
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene
SMILESOOC1/C=C\C=C/C(OO)CC1
InChIInChI=1S/C8H12O4/c9-11-7-3-1-2-4-8(12-10)6-5-7/h1-4,7-10H,5-6H2/b3-1-,4-2-
InChIKeyPIBIVIAZZIKTQQ-CCAGOZQPSA-N
XLogP1.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.61
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 (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene?
The IUPAC name of (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene (CID 12538215) is (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene?
The canonical SMILES for (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene is OOC1/C=C\C=C/C(OO)CC1.
What is the InChIKey of (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene?
The InChIKey is PIBIVIAZZIKTQQ-CCAGOZQPSA-N. The full InChI is InChI=1S/C8H12O4/c9-11-7-3-1-2-4-8(12-10)6-5-7/h1-4,7-10H,5-6H2/b3-1-,4-2-.
What are the key properties of (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene?
(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene has a molecular weight of 172.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene is sourced from PubChem (CID 12538215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).