2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid

C12H24O4 — CID 90299737

IUPAC2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
SMILESCCCC(CC)(COCCOCC)C(=O)O
InChIInChI=1S/C12H24O4/c1-4-7-12(5-2,11(13)14)10-16-9-8-15-6-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyOGLVNFICDFNJQA-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.32
Rot. Bonds10

About 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid

2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid (PubChem CID 90299737) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
PubChem CID90299737
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid
SMILESCCCC(CC)(COCCOCC)C(=O)O
InChIInChI=1S/C12H24O4/c1-4-7-12(5-2,11(13)14)10-16-9-8-15-6-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyOGLVNFICDFNJQA-UHFFFAOYSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729
2-(hydroperoxymethyl)-2-propylpentanoic acid
CID 89126007
2-[(2-ethoxyethylcarbamoylamino)methyl]-2-ethylbutanoic acid
CID 115430890
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2-[(2,2-diethyl-4-hydroxybutoxy)methyl]-2-ethylbutanoic acid
CID 89019062
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
azane;2,2-diethylbutanoic acid
CID 173369262
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
2-(2-ethoxyethoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 65005056

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid (CID 90299737) is 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid is CCCC(CC)(COCCOCC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid?
The InChIKey is OGLVNFICDFNJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-7-12(5-2,11(13)14)10-16-9-8-15-6-3/h4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid?
2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-2-ethylpentanoic acid is sourced from PubChem (CID 90299737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).