2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate

C33H48O8 — CID 158695693

IUPAC2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
SMILESCc1cc(CCC(=O)OCCOCOCCOC(=O)CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H48O8/c1-22-17-24(30(36)26(19-22)32(3,4)5)9-11-28(34)40-15-13-38-21-39-14-16-41-29(35)12-10-25-18-23(2)20-27(31(25)37)33(6,7)8/h17-20,36-37H,9-16,21H2,1-8H3
InChIKeyIGXKSTKUHLTQFQ-UHFFFAOYSA-N
MW572.74 g/mol
LogP5.95
Rot. Bonds14

About 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate

2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate (PubChem CID 158695693) has the molecular formula C33H48O8 and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Name2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
PubChem CID158695693
Molecular FormulaC33H48O8
Molecular Weight572.74 g/mol
Exact Mass572.33
IUPAC Name2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
SMILESCc1cc(CCC(=O)OCCOCOCCOC(=O)CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H48O8/c1-22-17-24(30(36)26(19-22)32(3,4)5)9-11-28(34)40-15-13-38-21-39-14-16-41-29(35)12-10-25-18-23(2)20-27(31(25)37)33(6,7)8/h17-20,36-37H,9-16,21H2,1-8H3
InChIKeyIGXKSTKUHLTQFQ-UHFFFAOYSA-N
XLogP5.95
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethoxymethoxymethyl]-3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87691689
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
2-[2-[2-[3-(3-tert-butyl-4-hydroxy-2,5-dimethylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-2,5-dimethylphenyl)propanoate
CID 150000056
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethene;formaldehyde
CID 158902854
2-[3-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 58260457
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
[3-[3-(3,5-ditert-butyl-2,4-dihydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-2,4-dihydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-2,4-dihydroxyphenyl)propanoate
CID 162216305
6-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-oxobutanoyl]oxyhexyl 4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4-oxobutanoate
CID 90170016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate?
The IUPAC name of 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate (CID 158695693) is 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate.
What is the SMILES notation for 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate?
The canonical SMILES for 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate is Cc1cc(CCC(=O)OCCOCOCCOC(=O)CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate?
The InChIKey is IGXKSTKUHLTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O8/c1-22-17-24(30(36)26(19-22)32(3,4)5)9-11-28(34)40-15-13-38-21-39-14-16-41-29(35)12-10-25-18-23(2)20-27(31(25)37)33(6,7)8/h17-20,36-37H,9-16,21H2,1-8H3.
What are the key properties of 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate?
2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate has a molecular weight of 572.74 g/mol, XLogP of 5.95, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate is sourced from PubChem (CID 158695693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).