(1Z)-3-hydroperoxycyclooctene

C8H14O2 — CID 10240906

IUPAC(1Z)-3-hydroperoxycyclooctene
SMILESOOC1/C=C\CCCCC1
InChIInChI=1S/C8H14O2/c9-10-8-6-4-2-1-3-5-7-8/h4,6,8-9H,1-3,5,7H2/b6-4-
InChIKeyXUOGFVLNGNOCJX-XQRVVYSFSA-N
MW142.20 g/mol
LogP2.36
Rot. Bonds1

About (1Z)-3-hydroperoxycyclooctene

(1Z)-3-hydroperoxycyclooctene (PubChem CID 10240906) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1Z)-3-hydroperoxycyclooctene.

Molecular Properties

Compound Name(1Z)-3-hydroperoxycyclooctene
PubChem CID10240906
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1Z)-3-hydroperoxycyclooctene
SMILESOOC1/C=C\CCCCC1
InChIInChI=1S/C8H14O2/c9-10-8-6-4-2-1-3-5-7-8/h4,6,8-9H,1-3,5,7H2/b6-4-
InChIKeyXUOGFVLNGNOCJX-XQRVVYSFSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 (1Z)-3-hydroperoxycyclooctene?
The IUPAC name of (1Z)-3-hydroperoxycyclooctene (CID 10240906) is (1Z)-3-hydroperoxycyclooctene.
What is the SMILES notation for (1Z)-3-hydroperoxycyclooctene?
The canonical SMILES for (1Z)-3-hydroperoxycyclooctene is OOC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-hydroperoxycyclooctene?
The InChIKey is XUOGFVLNGNOCJX-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14O2/c9-10-8-6-4-2-1-3-5-7-8/h4,6,8-9H,1-3,5,7H2/b6-4-.
What are the key properties of (1Z)-3-hydroperoxycyclooctene?
(1Z)-3-hydroperoxycyclooctene has a molecular weight of 142.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-hydroperoxycyclooctene is sourced from PubChem (CID 10240906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).