2-acetyloxyethyl 2-acetyloxybenzoate

C13H14O6 — CID 91699041

IUPAC2-acetyloxyethyl 2-acetyloxybenzoate
SMILESCC(=O)OCCOC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H14O6/c1-9(14)17-7-8-18-13(16)11-5-3-4-6-12(11)19-10(2)15/h3-6H,7-8H2,1-2H3
InChIKeyLCTKGQSNPMBONU-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.33
Rot. Bonds5

About 2-acetyloxyethyl 2-acetyloxybenzoate

2-acetyloxyethyl 2-acetyloxybenzoate (PubChem CID 91699041) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-acetyloxyethyl 2-acetyloxybenzoate.

Molecular Properties

Compound Name2-acetyloxyethyl 2-acetyloxybenzoate
PubChem CID91699041
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name2-acetyloxyethyl 2-acetyloxybenzoate
SMILESCC(=O)OCCOC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H14O6/c1-9(14)17-7-8-18-13(16)11-5-3-4-6-12(11)19-10(2)15/h3-6H,7-8H2,1-2H3
InChIKeyLCTKGQSNPMBONU-UHFFFAOYSA-N
XLogP1.33
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
2-[2-(2-acetyloxybenzoyl)oxyethoxy]acetic acid
CID 124895090
4-oxopentyl 2-acetyloxybenzoate
CID 89129205
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
2-(2-acetyloxybenzoyl)oxyethyl-diethylazanium
CID 140799841
2-acetyloxyethyl 2-phosphonooxybenzoate
CID 58511809
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
3-[bromo(triphenyl)-λ5-phosphanyl]propyl 2-acetyloxybenzoate
CID 155388021
[2,2-bis[(2-acetyloxybenzoyl)oxymethyl]-3-(2-carboniodidoyloxybenzoyl)oxypropyl] 2-acetyloxybenzoate
CID 163829030
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
[2-(2-aminoacetyl)phenyl] acetate
CID 129189924
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 2-acetyloxybenzoate?
The IUPAC name of 2-acetyloxyethyl 2-acetyloxybenzoate (CID 91699041) is 2-acetyloxyethyl 2-acetyloxybenzoate.
What is the SMILES notation for 2-acetyloxyethyl 2-acetyloxybenzoate?
The canonical SMILES for 2-acetyloxyethyl 2-acetyloxybenzoate is CC(=O)OCCOC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of 2-acetyloxyethyl 2-acetyloxybenzoate?
The InChIKey is LCTKGQSNPMBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c1-9(14)17-7-8-18-13(16)11-5-3-4-6-12(11)19-10(2)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-acetyloxyethyl 2-acetyloxybenzoate?
2-acetyloxyethyl 2-acetyloxybenzoate has a molecular weight of 266.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 2-acetyloxybenzoate is sourced from PubChem (CID 91699041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).