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

C36H54O8 — CID 150000056

IUPAC2-[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
SMILESCc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1O
InChIInChI=1S/C36H54O8/c1-23-21-27(25(3)31(33(23)39)35(5,6)7)11-13-29(37)43-19-17-41-15-16-42-18-20-44-30(38)14-12-28-22-24(2)34(40)32(26(28)4)36(8,9)10/h21-22,39-40H,11-20H2,1-10H3
InChIKeyDBBZTJHQVUTMAP-UHFFFAOYSA-N
MW614.82 g/mol
LogP6.61
Rot. Bonds15

About 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

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 (PubChem CID 150000056) has the molecular formula C36H54O8 and a molecular weight of 614.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID150000056
Molecular FormulaC36H54O8
Molecular Weight614.82 g/mol
Exact Mass614.38
IUPAC Name2-[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
SMILESCc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1O
InChIInChI=1S/C36H54O8/c1-23-21-27(25(3)31(33(23)39)35(5,6)7)11-13-29(37)43-19-17-41-15-16-42-18-20-44-30(38)14-12-28-22-24(2)34(40)32(26(28)4)36(8,9)10/h21-22,39-40H,11-20H2,1-10H3
InChIKeyDBBZTJHQVUTMAP-UHFFFAOYSA-N
XLogP6.61
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.82
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1O.
What is the InChIKey of 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?
The InChIKey is DBBZTJHQVUTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54O8/c1-23-21-27(25(3)31(33(23)39)35(5,6)7)11-13-29(37)43-19-17-41-15-16-42-18-20-44-30(38)14-12-28-22-24(2)34(40)32(26(28)4)36(8,9)10/h21-22,39-40H,11-20H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 614.82 g/mol, XLogP of 6.61, 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-(3-tert-butyl-4-hydroxy-2,5-dimethylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 150000056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).