8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate

C24H30O6 — CID 22375919

IUPAC8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCCCCCCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30O6/c1-27-21-13-9-19(10-14-21)23(25)29-17-7-5-3-4-6-8-18-30-24(26)20-11-15-22(28-2)16-12-20/h9-16H,3-8,17-18H2,1-2H3
InChIKeyBUEZTVLGPNCGRP-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.06
Rot. Bonds13

About 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate

8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate (PubChem CID 22375919) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate.

Molecular Properties

Compound Name8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
PubChem CID22375919
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCCCCCCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30O6/c1-27-21-13-9-19(10-14-21)23(25)29-17-7-5-3-4-6-8-18-30-24(26)20-11-15-22(28-2)16-12-20/h9-16H,3-8,17-18H2,1-2H3
InChIKeyBUEZTVLGPNCGRP-UHFFFAOYSA-N
XLogP5.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.06
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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Related Compounds

5-bromopentyl 4-methoxybenzoate
CID 164687331
icosyl 4-methoxybenzoate
CID 71438594
11-acetylsulfanylundecyl 4-methoxybenzoate
CID 56605061
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
(4-hydroxy-4-methylpentyl) 4-methoxybenzoate
CID 102099474
6-(4-acetyloxybenzoyl)oxyhexyl 4-acetyloxybenzoate
CID 54565430
3-azidopropyl 4-methoxybenzoate
CID 11447680
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
bis[4-(4-tetradecoxycarbonylphenoxy)carbonylphenyl] 5-methoxybenzene-1,3-dicarboxylate
CID 102179326
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate?
The IUPAC name of 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate (CID 22375919) is 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate.
What is the SMILES notation for 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate?
The canonical SMILES for 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate is COc1ccc(C(=O)OCCCCCCCCOC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate?
The InChIKey is BUEZTVLGPNCGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-27-21-13-9-19(10-14-21)23(25)29-17-7-5-3-4-6-8-18-30-24(26)20-11-15-22(28-2)16-12-20/h9-16H,3-8,17-18H2,1-2H3.
What are the key properties of 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate?
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate has a molecular weight of 414.50 g/mol, XLogP of 5.06, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate is sourced from PubChem (CID 22375919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).