1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate

C13H18O6 — CID 173267332

IUPAC1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate
SMILESCOCC(C)OOC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18O6/c1-9(8-15-2)18-19-13(14)10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3
InChIKeyMJOCNKBBPORJFA-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.83
Rot. Bonds7

About 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate

1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate (PubChem CID 173267332) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate
PubChem CID173267332
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate
SMILESCOCC(C)OOC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H18O6/c1-9(8-15-2)18-19-13(14)10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3
InChIKeyMJOCNKBBPORJFA-UHFFFAOYSA-N
XLogP1.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266268
octan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266449
propyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266062
1-(3,5-dimethoxybenzoyl)peroxydodecyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266087
butan-2-yl 3,4,5-trimethoxybenzenecarboperoxoate
CID 173267443
2-iodoethyl 3,5-dimethoxybenzoate
CID 21411148
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
[2-oxo-2-(propan-2-ylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516356
1,3-bis[(3,5-dimethoxybenzoyl)oxy]propan-2-yl 3-hydroxy-5-methoxybenzoate
CID 71033951
5,6-bis[(3,5-dimethoxybenzoyl)oxy]hexyl 3,5-dimethoxybenzoate
CID 57070142
1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
CID 71987996

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate?
The IUPAC name of 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate (CID 173267332) is 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate.
What is the SMILES notation for 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate?
The canonical SMILES for 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate is COCC(C)OOC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate?
The InChIKey is MJOCNKBBPORJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-9(8-15-2)18-19-13(14)10-5-11(16-3)7-12(6-10)17-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate?
1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate has a molecular weight of 270.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 3,5-dimethoxybenzenecarboperoxoate is sourced from PubChem (CID 173267332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).