3-ethyl-3-(ethylperoxymethyl)oxetane

C8H16O3 — CID 151175316

IUPAC3-ethyl-3-(ethylperoxymethyl)oxetane
SMILESCCOOCC1(CC)COC1
InChIInChI=1S/C8H16O3/c1-3-8(5-9-6-8)7-11-10-4-2/h3-7H2,1-2H3
InChIKeyNDDKMCDIXSMHQN-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds5

About 3-ethyl-3-(ethylperoxymethyl)oxetane

3-ethyl-3-(ethylperoxymethyl)oxetane (PubChem CID 151175316) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-ethyl-3-(ethylperoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(ethylperoxymethyl)oxetane
PubChem CID151175316
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-ethyl-3-(ethylperoxymethyl)oxetane
SMILESCCOOCC1(CC)COC1
InChIInChI=1S/C8H16O3/c1-3-8(5-9-6-8)7-11-10-4-2/h3-7H2,1-2H3
InChIKeyNDDKMCDIXSMHQN-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-ethyl-3-(ethylperoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(ethylperoxymethyl)oxetane (CID 151175316) is 3-ethyl-3-(ethylperoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(ethylperoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(ethylperoxymethyl)oxetane is CCOOCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(ethylperoxymethyl)oxetane?
The InChIKey is NDDKMCDIXSMHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(5-9-6-8)7-11-10-4-2/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-(ethylperoxymethyl)oxetane?
3-ethyl-3-(ethylperoxymethyl)oxetane has a molecular weight of 160.21 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(ethylperoxymethyl)oxetane is sourced from PubChem (CID 151175316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).