2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate

C34H54O8 — CID 141202226

IUPAC2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate
SMILESCC1=CC(O)(CCC(=O)OCCOCCOCCOC(=O)CCC2(O)C=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C34H54O8/c1-25-19-27(31(3,4)5)23-33(37,21-25)11-9-29(35)41-17-15-39-13-14-40-16-18-42-30(36)10-12-34(38)22-26(2)20-28(24-34)32(6,7)8/h19-22,37-38H,9-18,23-24H2,1-8H3
InChIKeyBEHRYIHONRHDQE-UHFFFAOYSA-N
MW590.80 g/mol
LogP5.77
Rot. Bonds15

About 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate

2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate (PubChem CID 141202226) has the molecular formula C34H54O8 and a molecular weight of 590.80 g/mol. Its IUPAC name is 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate.

Molecular Properties

Compound Name2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate
PubChem CID141202226
Molecular FormulaC34H54O8
Molecular Weight590.80 g/mol
Exact Mass590.38
IUPAC Name2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate
SMILESCC1=CC(O)(CCC(=O)OCCOCCOCCOC(=O)CCC2(O)C=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C34H54O8/c1-25-19-27(31(3,4)5)23-33(37,21-25)11-9-29(35)41-17-15-39-13-14-40-16-18-42-30(36)10-12-34(38)22-26(2)20-28(24-34)32(6,7)8/h19-22,37-38H,9-18,23-24H2,1-8H3
InChIKeyBEHRYIHONRHDQE-UHFFFAOYSA-N
XLogP5.77
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.80
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate with MolForge

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Related Compounds

2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
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-[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-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-[3-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
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2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;10-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]decyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159472102
2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159586009
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
CID 158695693
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate?
The IUPAC name of 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate (CID 141202226) is 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate.
What is the SMILES notation for 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate?
The canonical SMILES for 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate is CC1=CC(O)(CCC(=O)OCCOCCOCCOC(=O)CCC2(O)C=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1.
What is the InChIKey of 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate?
The InChIKey is BEHRYIHONRHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O8/c1-25-19-27(31(3,4)5)23-33(37,21-25)11-9-29(35)41-17-15-39-13-14-40-16-18-42-30(36)10-12-34(38)22-26(2)20-28(24-34)32(6,7)8/h19-22,37-38H,9-18,23-24H2,1-8H3.
What are the key properties of 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate?
2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate has a molecular weight of 590.80 g/mol, XLogP of 5.77, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(5-tert-butyl-1-hydroxy-3-methylcyclohexa-2,4-dien-1-yl)propanoate is sourced from PubChem (CID 141202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).