[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate

C12H22O8 — CID 175124878

IUPAC[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate
SMILESCCOCCOCC(=O)OOC(=O)COCCOCC
InChIInChI=1S/C12H22O8/c1-3-15-5-7-17-9-11(13)19-20-12(14)10-18-8-6-16-4-2/h3-10H2,1-2H3
InChIKeyYDAPPNDFMURPET-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.09
Rot. Bonds12

About [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate

[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate (PubChem CID 175124878) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate
PubChem CID175124878
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate
SMILESCCOCCOCC(=O)OOC(=O)COCCOCC
InChIInChI=1S/C12H22O8/c1-3-15-5-7-17-9-11(13)19-20-12(14)10-18-8-6-16-4-2/h3-10H2,1-2H3
InChIKeyYDAPPNDFMURPET-UHFFFAOYSA-N
XLogP0.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-(2-ethoxyethoxy)-N-tritioacetamide
CID 159131304
tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate
CID 139692789
1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
CID 158371084
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate?
The IUPAC name of [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate (CID 175124878) is [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate.
What is the SMILES notation for [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate?
The canonical SMILES for [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate is CCOCCOCC(=O)OOC(=O)COCCOCC.
What is the InChIKey of [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate?
The InChIKey is YDAPPNDFMURPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O8/c1-3-15-5-7-17-9-11(13)19-20-12(14)10-18-8-6-16-4-2/h3-10H2,1-2H3.
What are the key properties of [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate?
[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate has a molecular weight of 294.30 g/mol, XLogP of 0.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate is sourced from PubChem (CID 175124878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).