(1Z)-3-tert-butylperoxycyclooctene

C12H22O2 — CID 11745626

IUPAC(1Z)-3-tert-butylperoxycyclooctene
SMILESCC(C)(C)OOC1/C=C\CCCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)14-13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-
InChIKeyNGYAFSXKZBLFMY-CLFYSBASSA-N
MW198.31 g/mol
LogP3.62
Rot. Bonds2

About (1Z)-3-tert-butylperoxycyclooctene

(1Z)-3-tert-butylperoxycyclooctene (PubChem CID 11745626) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1Z)-3-tert-butylperoxycyclooctene.

Molecular Properties

Compound Name(1Z)-3-tert-butylperoxycyclooctene
PubChem CID11745626
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1Z)-3-tert-butylperoxycyclooctene
SMILESCC(C)(C)OOC1/C=C\CCCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)14-13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-
InChIKeyNGYAFSXKZBLFMY-CLFYSBASSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
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-tert-butylperoxycyclooctene?
The IUPAC name of (1Z)-3-tert-butylperoxycyclooctene (CID 11745626) is (1Z)-3-tert-butylperoxycyclooctene.
What is the SMILES notation for (1Z)-3-tert-butylperoxycyclooctene?
The canonical SMILES for (1Z)-3-tert-butylperoxycyclooctene is CC(C)(C)OOC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-tert-butylperoxycyclooctene?
The InChIKey is NGYAFSXKZBLFMY-CLFYSBASSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)14-13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-.
What are the key properties of (1Z)-3-tert-butylperoxycyclooctene?
(1Z)-3-tert-butylperoxycyclooctene has a molecular weight of 198.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-tert-butylperoxycyclooctene is sourced from PubChem (CID 11745626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).