1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate

C24H30O10 — CID 173266166

IUPAC1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
SMILESCCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C24H30O10/c1-6-7-8-9-22(31-33-23(25)18-14-16(27-2)10-12-20(18)29-4)32-34-24(26)19-15-17(28-3)11-13-21(19)30-5/h10-15,22H,6-9H2,1-5H3
InChIKeySHMCPCNJISUUFV-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.50
Rot. Bonds14

About 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate

1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate (PubChem CID 173266166) has the molecular formula C24H30O10 and a molecular weight of 478.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
PubChem CID173266166
Molecular FormulaC24H30O10
Molecular Weight478.49 g/mol
Exact Mass478.18
IUPAC Name1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
SMILESCCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C24H30O10/c1-6-7-8-9-22(31-33-23(25)18-14-16(27-2)10-12-20(18)29-4)32-34-24(26)19-15-17(28-3)11-13-21(19)30-5/h10-15,22H,6-9H2,1-5H3
InChIKeySHMCPCNJISUUFV-UHFFFAOYSA-N
XLogP4.50
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Related Compounds

1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
CID 173265865
1-(3,4-dimethoxybenzoyl)peroxydecyl 3,4-dimethoxybenzenecarboperoxoate
CID 173267245
[1-(2,5-dimethoxybenzoyl)peroxy-2-ethoxyethyl] 2,5-dimethoxybenzenecarboperoxoate
CID 173266479
butyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266594
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266087
1-(4-methoxybenzoyl)peroxypentyl 4-methoxybenzenecarboperoxoate
CID 173266577
1-[1-(4-methoxybenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-methoxybenzenecarboperoxoate
CID 139901170
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
1-(4-pentylbenzoyl)peroxyhexyl 4-pentylbenzenecarboperoxoate
CID 173265747
1-(3-methoxybenzoyl)peroxybutyl 3-methoxybenzenecarboperoxoate
CID 173265193

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate (CID 173266166) is 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate is CCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate?
The InChIKey is SHMCPCNJISUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O10/c1-6-7-8-9-22(31-33-23(25)18-14-16(27-2)10-12-20(18)29-4)32-34-24(26)19-15-17(28-3)11-13-21(19)30-5/h10-15,22H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate?
1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate has a molecular weight of 478.49 g/mol, XLogP of 4.50, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173266166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).