[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate

C22H26O11 — CID 173266479

IUPAC[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate
SMILESCCOCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C22H26O11/c1-6-29-13-20(30-32-21(23)16-11-14(25-2)7-9-18(16)27-4)31-33-22(24)17-12-15(26-3)8-10-19(17)28-5/h7-12,20H,6,13H2,1-5H3
InChIKeySEQGBIXRBGXVPB-UHFFFAOYSA-N
MW466.44 g/mol
LogP2.96
Rot. Bonds13

About [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate

[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate (PubChem CID 173266479) has the molecular formula C22H26O11 and a molecular weight of 466.44 g/mol. Its IUPAC name is [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate
PubChem CID173266479
Molecular FormulaC22H26O11
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC Name[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate
SMILESCCOCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C22H26O11/c1-6-29-13-20(30-32-21(23)16-11-14(25-2)7-9-18(16)27-4)31-33-22(24)17-12-15(26-3)8-10-19(17)28-5/h7-12,20H,6,13H2,1-5H3
InChIKeySEQGBIXRBGXVPB-UHFFFAOYSA-N
XLogP2.96
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate with MolForge

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Related Compounds

1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266166
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
CID 173265865
butyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266594
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate (CID 173266479) is [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate is CCOCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate?
The InChIKey is SEQGBIXRBGXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O11/c1-6-29-13-20(30-32-21(23)16-11-14(25-2)7-9-18(16)27-4)31-33-22(24)17-12-15(26-3)8-10-19(17)28-5/h7-12,20H,6,13H2,1-5H3.
What are the key properties of [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate?
[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate has a molecular weight of 466.44 g/mol, XLogP of 2.96, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173266479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).