[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate

C26H32O6 — CID 58090335

IUPAC[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate
SMILESCOCCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CCOC)cc3)CC2)cc1
InChIInChI=1S/C26H32O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-10,23-24H,11-18H2,1-2H3
InChIKeyDHWZOAKOCSZJOL-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.39
Rot. Bonds10

About [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate

[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate (PubChem CID 58090335) has the molecular formula C26H32O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate.

Molecular Properties

Compound Name[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate
PubChem CID58090335
Molecular FormulaC26H32O6
Molecular Weight440.54 g/mol
Exact Mass440.22
IUPAC Name[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate
SMILESCOCCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CCOC)cc3)CC2)cc1
InChIInChI=1S/C26H32O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-10,23-24H,11-18H2,1-2H3
InChIKeyDHWZOAKOCSZJOL-UHFFFAOYSA-N
XLogP4.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(2-methoxyethyl)cyclohexyl]cyclohexyl] 4-(2-methoxyethyl)benzoate
CID 58090272
[4-(4-butylbenzoyl)oxycyclohexyl] 4-butylbenzoate
CID 21028980
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]benzoyl]oxycyclohexyl]ethyl 4-[2-(2-methylprop-2-enoyloxy)ethyl]benzoate
CID 129197731
[4-(4-propylphenoxy)carbonylcyclohexyl] 4-propylbenzoate
CID 21053167
(3,4-dimethylcyclohexyl) 4-(2-aminoethyl)benzoate
CID 64747289
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
cyclopropyl 4-fluorobenzoate
CID 126986458
cyclopropyl 4-hydroxybenzoate
CID 175929910
cyclobutyl 4-(aminomethyl)benzoate
CID 62217403
(4-methoxycyclohexyl) benzoate
CID 101493670
(4,4-dimethylcyclohexyl) 4-(aminomethyl)benzoate
CID 114341431

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate?
The IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate (CID 58090335) is [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate.
What is the SMILES notation for [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate?
The canonical SMILES for [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate is COCCc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(CCOC)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate?
The InChIKey is DHWZOAKOCSZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-10,23-24H,11-18H2,1-2H3.
What are the key properties of [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate?
[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate has a molecular weight of 440.54 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate is sourced from PubChem (CID 58090335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).