1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate

C15H22O5 — CID 175094889

IUPAC1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
SMILESCCOC(C)OC(C)OC(C)OC(=O)c1ccccc1
InChIInChI=1S/C15H22O5/c1-5-17-11(2)18-12(3)19-13(4)20-15(16)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3
InChIKeyAXLMJZFUQGPASZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds8

About 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate

1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate (PubChem CID 175094889) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate.

Molecular Properties

Compound Name1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
PubChem CID175094889
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
SMILESCCOC(C)OC(C)OC(C)OC(=O)c1ccccc1
InChIInChI=1S/C15H22O5/c1-5-17-11(2)18-12(3)19-13(4)20-15(16)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3
InChIKeyAXLMJZFUQGPASZ-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis[1-(1-ethoxyethoxy)ethyl] benzene-1,3-dicarboxylate
CID 121376026
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
1-phenylmethoxyethyl benzoate
CID 147024135
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
1-ethoxyethyl 4-ethenylbenzoate
CID 23124798
(6,6-diethoxy-5-oxohex-3-yn-2-yl) benzoate
CID 42638322
[(2S)-pentan-2-yl] benzoate
CID 101019298
ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
CID 67501931
1-ethylsulfanylethyl benzoate
CID 132576408
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate?
The IUPAC name of 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate (CID 175094889) is 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate.
What is the SMILES notation for 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate?
The canonical SMILES for 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate is CCOC(C)OC(C)OC(C)OC(=O)c1ccccc1.
What is the InChIKey of 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate?
The InChIKey is AXLMJZFUQGPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-17-11(2)18-12(3)19-13(4)20-15(16)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3.
What are the key properties of 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate?
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate has a molecular weight of 282.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate is sourced from PubChem (CID 175094889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).