2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate

C24H30O5 — CID 23024581

IUPAC2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCC(C)OCC(C)OC(=O)c1ccccc1CC
InChIInChI=1S/C24H30O5/c1-5-19-11-7-9-13-21(19)23(25)28-15-17(3)27-16-18(4)29-24(26)22-14-10-8-12-20(22)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyIJXUBWZGLJIGNR-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.62
Rot. Bonds10

About 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate

2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate (PubChem CID 23024581) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate.

Molecular Properties

Compound Name2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
PubChem CID23024581
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCC(C)OCC(C)OC(=O)c1ccccc1CC
InChIInChI=1S/C24H30O5/c1-5-19-11-7-9-13-21(19)23(25)28-15-17(3)27-16-18(4)29-24(26)22-14-10-8-12-20(22)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyIJXUBWZGLJIGNR-UHFFFAOYSA-N
XLogP4.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
CID 23024578
2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
CID 121375652
2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate
CID 23024590
2-methylbutyl 2-ethylbenzoate
CID 175585284
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
propan-2-yl 2-ethylbenzenecarboperoxoate
CID 90357464
[(2R)-1-amino-1-oxobutan-2-yl] 2-ethylbenzoate
CID 140582334
1,3-diethoxypropan-2-yl 2-ethylbenzoate
CID 141430139
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-hexyldecyl 2-ethylbenzoate
CID 139434549

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate?
The IUPAC name of 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate (CID 23024581) is 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate.
What is the SMILES notation for 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate?
The canonical SMILES for 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate is CCc1ccccc1C(=O)OCC(C)OCC(C)OC(=O)c1ccccc1CC.
What is the InChIKey of 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate?
The InChIKey is IJXUBWZGLJIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-5-19-11-7-9-13-21(19)23(25)28-15-17(3)27-16-18(4)29-24(26)22-14-10-8-12-20(22)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3.
What are the key properties of 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate?
2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate has a molecular weight of 398.50 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate is sourced from PubChem (CID 23024581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).