4-(2-ethylperoxyethyl)morpholine

C8H17NO3 — CID 18738549

IUPAC4-(2-ethylperoxyethyl)morpholine
SMILESCCOOCCN1CCOCC1
InChIInChI=1S/C8H17NO3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-8H2,1H3
InChIKeyJBFUFKWTXNRGER-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.29
Rot. Bonds5

About 4-(2-ethylperoxyethyl)morpholine

4-(2-ethylperoxyethyl)morpholine (PubChem CID 18738549) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2-ethylperoxyethyl)morpholine.

Molecular Properties

Compound Name4-(2-ethylperoxyethyl)morpholine
PubChem CID18738549
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-(2-ethylperoxyethyl)morpholine
SMILESCCOOCCN1CCOCC1
InChIInChI=1S/C8H17NO3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-8H2,1H3
InChIKeyJBFUFKWTXNRGER-UHFFFAOYSA-N
XLogP0.29
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
4-(4-ethoxybutyl)morpholine
CID 10726253
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
4-propylmorpholine;hydrobromide
CID 70540609
ethane;4-propylmorpholine
CID 143004992
4-(2-hexoxyethyl)morpholine
CID 3326674
2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
CID 11060427
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylperoxyethyl)morpholine?
The IUPAC name of 4-(2-ethylperoxyethyl)morpholine (CID 18738549) is 4-(2-ethylperoxyethyl)morpholine.
What is the SMILES notation for 4-(2-ethylperoxyethyl)morpholine?
The canonical SMILES for 4-(2-ethylperoxyethyl)morpholine is CCOOCCN1CCOCC1.
What is the InChIKey of 4-(2-ethylperoxyethyl)morpholine?
The InChIKey is JBFUFKWTXNRGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-11-12-8-5-9-3-6-10-7-4-9/h2-8H2,1H3.
What are the key properties of 4-(2-ethylperoxyethyl)morpholine?
4-(2-ethylperoxyethyl)morpholine has a molecular weight of 175.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylperoxyethyl)morpholine is sourced from PubChem (CID 18738549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).