2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate

C14H28O4 — CID 166669949

IUPAC2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
SMILESCCOCCOCCOC(=O)C(C)CC(C)(C)C
InChIInChI=1S/C14H28O4/c1-6-16-7-8-17-9-10-18-13(15)12(2)11-14(3,4)5/h12H,6-11H2,1-5H3
InChIKeySNYLJSMCFKQCIA-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.65
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate

2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate (PubChem CID 166669949) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
PubChem CID166669949
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
SMILESCCOCCOCCOC(=O)C(C)CC(C)(C)C
InChIInChI=1S/C14H28O4/c1-6-16-7-8-17-9-10-18-13(15)12(2)11-14(3,4)5/h12H,6-11H2,1-5H3
InChIKeySNYLJSMCFKQCIA-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.65
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-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
2-[2-[2-(2-tert-butyl-4,4-dimethylpentanoyl)oxyethoxy]ethoxy]ethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 166861272
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate (CID 166669949) is 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate is CCOCCOCCOC(=O)C(C)CC(C)(C)C.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate?
The InChIKey is SNYLJSMCFKQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-6-16-7-8-17-9-10-18-13(15)12(2)11-14(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate?
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate has a molecular weight of 260.37 g/mol, XLogP of 2.65, 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 2,4,4-trimethylpentanoate is sourced from PubChem (CID 166669949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).