1-ethylperoxycyclohexene

C8H14O2 — CID 140972894

IUPAC1-ethylperoxycyclohexene
SMILESCCOOC1=CCCCC1
InChIInChI=1S/C8H14O2/c1-2-9-10-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyHJISHJACOVLVND-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.41
Rot. Bonds3

About 1-ethylperoxycyclohexene

1-ethylperoxycyclohexene (PubChem CID 140972894) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethylperoxycyclohexene.

Molecular Properties

Compound Name1-ethylperoxycyclohexene
PubChem CID140972894
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-ethylperoxycyclohexene
SMILESCCOOC1=CCCCC1
InChIInChI=1S/C8H14O2/c1-2-9-10-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyHJISHJACOVLVND-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.41
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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Related Compounds

1-butylperoxycyclohexene
CID 150169078
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
(1E)-1-ethoxycyclodecene
CID 164771748
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
[(1Z)-cyclododecen-1-yl]oxy-diethylborane
CID 21482455
(2R)-2-(cyclohexen-1-yloxy)propan-1-amine
CID 174454430
cyclohexen-1-yl hypoiodite
CID 145005942
2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
CID 23238003
2-[(1E)-cycloocten-1-yl]oxyethanol
CID 170306733
cyclopenten-1-yl ethanesulfonate
CID 174383619
cyclohexen-1-yl 5-ethoxypentanoate
CID 134561572

Frequently Asked Questions

What is the IUPAC name of 1-ethylperoxycyclohexene?
The IUPAC name of 1-ethylperoxycyclohexene (CID 140972894) is 1-ethylperoxycyclohexene.
What is the SMILES notation for 1-ethylperoxycyclohexene?
The canonical SMILES for 1-ethylperoxycyclohexene is CCOOC1=CCCCC1.
What is the InChIKey of 1-ethylperoxycyclohexene?
The InChIKey is HJISHJACOVLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-9-10-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-ethylperoxycyclohexene?
1-ethylperoxycyclohexene has a molecular weight of 142.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylperoxycyclohexene is sourced from PubChem (CID 140972894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).