2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde

C17H24O6 — CID 101026866

IUPAC2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde
SMILESCCCCC(CC)COOc1cc(C=O)c(OOC)cc1C=O
InChIInChI=1S/C17H24O6/c1-4-6-7-13(5-2)12-21-23-17-9-14(10-18)16(22-20-3)8-15(17)11-19/h8-11,13H,4-7,12H2,1-3H3
InChIKeyRANXSAMZCIEUIT-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.78
Rot. Bonds12

About 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde

2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde (PubChem CID 101026866) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde.

Molecular Properties

Compound Name2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde
PubChem CID101026866
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde
SMILESCCCCC(CC)COOc1cc(C=O)c(OOC)cc1C=O
InChIInChI=1S/C17H24O6/c1-4-6-7-13(5-2)12-21-23-17-9-14(10-18)16(22-20-3)8-15(17)11-19/h8-11,13H,4-7,12H2,1-3H3
InChIKeyRANXSAMZCIEUIT-UHFFFAOYSA-N
XLogP3.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl 3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 91148394
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole-2,6-dicarbaldehyde
CID 131874739
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
2-bromo-4-(2-ethylhexoxy)thiophene-3-carbaldehyde
CID 175514195
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
2,5-dimethoxy-4-pentylsulfanylbenzaldehyde
CID 11818038
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
2-ethylhexyl 4-formylbenzoate
CID 138566584

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde?
The IUPAC name of 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde (CID 101026866) is 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde.
What is the SMILES notation for 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde?
The canonical SMILES for 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde is CCCCC(CC)COOc1cc(C=O)c(OOC)cc1C=O.
What is the InChIKey of 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde?
The InChIKey is RANXSAMZCIEUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-4-6-7-13(5-2)12-21-23-17-9-14(10-18)16(22-20-3)8-15(17)11-19/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde?
2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde has a molecular weight of 324.37 g/mol, XLogP of 3.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylperoxy)-5-methylperoxyterephthalaldehyde is sourced from PubChem (CID 101026866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).