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

C30H42O10 — CID 173265865

IUPAC1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
SMILESCCCCCCCCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C30H42O10/c1-6-7-8-9-10-11-12-13-14-15-28(37-39-29(31)24-20-22(33-2)16-18-26(24)35-4)38-40-30(32)25-21-23(34-3)17-19-27(25)36-5/h16-21,28H,6-15H2,1-5H3
InChIKeySCIZEDFKLMWEBS-UHFFFAOYSA-N
MW562.66 g/mol
LogP6.84
Rot. Bonds20

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

1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate (PubChem CID 173265865) has the molecular formula C30H42O10 and a molecular weight of 562.66 g/mol. Its IUPAC name is 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
PubChem CID173265865
Molecular FormulaC30H42O10
Molecular Weight562.66 g/mol
Exact Mass562.28
IUPAC Name1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
SMILESCCCCCCCCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C30H42O10/c1-6-7-8-9-10-11-12-13-14-15-28(37-39-29(31)24-20-22(33-2)16-18-26(24)35-4)38-40-30(32)25-21-23(34-3)17-19-27(25)36-5/h16-21,28H,6-15H2,1-5H3
InChIKeySCIZEDFKLMWEBS-UHFFFAOYSA-N
XLogP6.84
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 56.84
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)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266166
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
1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266087
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
1-(4-methoxybenzoyl)peroxypentyl 4-methoxybenzenecarboperoxoate
CID 173266577
1-[1-(4-methoxybenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-methoxybenzenecarboperoxoate
CID 139901170
1-(4-methylbenzoyl)peroxyhexadecyl 4-methylbenzenecarboperoxoate
CID 173265367
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
1-[1-(2,4-dimethylbenzoyl)peroxydecoxycarbonyloxy]decyl 2,4-dimethylbenzenecarboperoxoate
CID 139901183

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate (CID 173265865) is 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate is CCCCCCCCCCCC(OOC(=O)c1cc(OC)ccc1OC)OOC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate?
The InChIKey is SCIZEDFKLMWEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O10/c1-6-7-8-9-10-11-12-13-14-15-28(37-39-29(31)24-20-22(33-2)16-18-26(24)35-4)38-40-30(32)25-21-23(34-3)17-19-27(25)36-5/h16-21,28H,6-15H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate?
1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate has a molecular weight of 562.66 g/mol, XLogP of 6.84, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).