2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate

C17H26O4 — CID 130428070

IUPAC2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
SMILESCCOCCOCCOC(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H26O4/c1-5-19-8-9-20-10-11-21-17(18)15-6-7-16(13(2)3)14(4)12-15/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyKGYSPUBJZSRRSH-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.33
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate

2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate (PubChem CID 130428070) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
PubChem CID130428070
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
SMILESCCOCCOCCOC(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H26O4/c1-5-19-8-9-20-10-11-21-17(18)15-6-7-16(13(2)3)14(4)12-15/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyKGYSPUBJZSRRSH-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyethyl 4-ethoxy-3-methylbenzoate
CID 86939194
2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
CID 78788742
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate
CID 130399817
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
2-(2-methylpropoxy)ethyl 4-fluoro-3-methylbenzoate
CID 106450528
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
methyl 4-butan-2-yl-3-methylbenzoate
CID 164538422
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
2-ethoxyethyl 3-amino-4-(dimethylamino)benzoate
CID 61308490
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methylbenzoate
CID 171866670

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate (CID 130428070) is 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate is CCOCCOCCOC(=O)c1ccc(C(C)C)c(C)c1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate?
The InChIKey is KGYSPUBJZSRRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-19-8-9-20-10-11-21-17(18)15-6-7-16(13(2)3)14(4)12-15/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate?
2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate has a molecular weight of 294.39 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate is sourced from PubChem (CID 130428070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).