1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate

C30H42O10 — CID 173266087

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

About 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate

1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate (PubChem CID 173266087) has the molecular formula C30H42O10 and a molecular weight of 562.66 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate
PubChem CID173266087
Molecular FormulaC30H42O10
Molecular Weight562.66 g/mol
Exact Mass562.28
IUPAC Name1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate
SMILESCCCCCCCCCCCC(OOC(=O)c1cc(OC)cc(OC)c1)OOC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C30H42O10/c1-6-7-8-9-10-11-12-13-14-15-28(37-39-29(31)22-16-24(33-2)20-25(17-22)34-3)38-40-30(32)23-18-26(35-4)21-27(19-23)36-5/h16-21,28H,6-15H2,1-5H3
InChIKeyGLJOMOLJOHWXNB-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

octan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266449
1-(3,4-dimethoxybenzoyl)peroxydecyl 3,4-dimethoxybenzenecarboperoxoate
CID 173267245
1-(4-methoxybenzoyl)peroxypentyl 4-methoxybenzenecarboperoxoate
CID 173266577
1-(2,5-dimethoxybenzoyl)peroxydodecyl 2,5-dimethoxybenzenecarboperoxoate
CID 173265865
1-[1-(4-methoxybenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-methoxybenzenecarboperoxoate
CID 139901170
1-(4-methylbenzoyl)peroxyhexadecyl 4-methylbenzenecarboperoxoate
CID 173265367
1-(4-ethylbenzoyl)peroxyoctyl 4-ethylbenzenecarboperoxoate
CID 173267169
1-(3,5-dimethylbenzoyl)peroxypentyl 3,5-dimethylbenzenecarboperoxoate
CID 173266234
1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266166
1-(3-methoxybenzoyl)peroxybutyl 3-methoxybenzenecarboperoxoate
CID 173265193
1-(2,4,6-trimethylbenzoyl)peroxydecyl 2,4,6-trimethylbenzenecarboperoxoate
CID 173266980
1-(4-pentylbenzoyl)peroxyhexyl 4-pentylbenzenecarboperoxoate
CID 173265747

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate (CID 173266087) is 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate is CCCCCCCCCCCC(OOC(=O)c1cc(OC)cc(OC)c1)OOC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate?
The InChIKey is GLJOMOLJOHWXNB-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)22-16-24(33-2)20-25(17-22)34-3)38-40-30(32)23-18-26(35-4)21-27(19-23)36-5/h16-21,28H,6-15H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate?
1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-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-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173266087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).