6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate

C22H26O6 — CID 4926787

IUPAC6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26O6/c1-25-19-11-7-17(8-12-19)21(23)27-15-5-3-4-6-16-28-22(24)18-9-13-20(26-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZALQHEOANJAMNQ-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.28
Rot. Bonds11

About 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate

6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate (PubChem CID 4926787) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate.

Molecular Properties

Compound Name6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate
PubChem CID4926787
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26O6/c1-25-19-11-7-17(8-12-19)21(23)27-15-5-3-4-6-16-28-22(24)18-9-13-20(26-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZALQHEOANJAMNQ-UHFFFAOYSA-N
XLogP4.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate?
The IUPAC name of 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate (CID 4926787) is 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate.
What is the SMILES notation for 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate?
The canonical SMILES for 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate is COc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate?
The InChIKey is ZALQHEOANJAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-25-19-11-7-17(8-12-19)21(23)27-15-5-3-4-6-16-28-22(24)18-9-13-20(26-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate?
6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate has a molecular weight of 386.44 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybenzoyl)oxyhexyl 4-methoxybenzoate is sourced from PubChem (CID 4926787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).