ethylperoxycyclopentane

C7H14O2 — CID 20870594

IUPACethylperoxycyclopentane
SMILESCCOOC1CCCC1
InChIInChI=1S/C7H14O2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUAQUJTXYULXVQW-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds3

About ethylperoxycyclopentane

ethylperoxycyclopentane (PubChem CID 20870594) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethylperoxycyclopentane.

Molecular Properties

Compound Nameethylperoxycyclopentane
PubChem CID20870594
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethylperoxycyclopentane
SMILESCCOOC1CCCC1
InChIInChI=1S/C7H14O2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUAQUJTXYULXVQW-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of ethylperoxycyclopentane?
The IUPAC name of ethylperoxycyclopentane (CID 20870594) is ethylperoxycyclopentane.
What is the SMILES notation for ethylperoxycyclopentane?
The canonical SMILES for ethylperoxycyclopentane is CCOOC1CCCC1.
What is the InChIKey of ethylperoxycyclopentane?
The InChIKey is UAQUJTXYULXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethylperoxycyclopentane?
ethylperoxycyclopentane has a molecular weight of 130.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxycyclopentane is sourced from PubChem (CID 20870594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).