2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate

C15H20O5 — CID 130399817

IUPAC2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate
SMILESCC(=O)OCCOCCOC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H20O5/c1-11-4-5-14(10-12(11)2)15(17)20-9-7-18-6-8-19-13(3)16/h4-5,10H,6-9H2,1-3H3
InChIKeyRGLGFCZVGWUZEB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.04
Rot. Bonds7

About 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate

2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate (PubChem CID 130399817) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate.

Molecular Properties

Compound Name2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate
PubChem CID130399817
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate
SMILESCC(=O)OCCOCCOC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H20O5/c1-11-4-5-14(10-12(11)2)15(17)20-9-7-18-6-8-19-13(3)16/h4-5,10H,6-9H2,1-3H3
InChIKeyRGLGFCZVGWUZEB-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxopentyl 3,4-dimethylbenzoate
CID 78846494
2-[2-(pyridin-2-ylmethoxy)ethoxy]ethyl 3,4-dimethylbenzoate
CID 130399793
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
hexyl 3,4-dimethylbenzoate
CID 91752170
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
(3-methoxy-3-methylbutyl) 3,4-dimethylbenzoate
CID 130399772
2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
CID 130428070
2-propoxyethyl 4-ethoxy-3-methylbenzoate
CID 86939194
3-(butylamino)propyl 3,4-dimethylbenzoate
CID 82532335
2-(2-methylpropoxy)ethyl 4-fluoro-3-methylbenzoate
CID 106450528
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate?
The IUPAC name of 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate (CID 130399817) is 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate.
What is the SMILES notation for 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate?
The canonical SMILES for 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate is CC(=O)OCCOCCOC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate?
The InChIKey is RGLGFCZVGWUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-11-4-5-14(10-12(11)2)15(17)20-9-7-18-6-8-19-13(3)16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate?
2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate has a molecular weight of 280.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate is sourced from PubChem (CID 130399817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).