2-[2-(2-methoxyethoxy)ethoxy]butanoic acid

C9H18O5 — CID 18318696

IUPAC2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCCC(OCCOCCOC)C(=O)O
InChIInChI=1S/C9H18O5/c1-3-8(9(10)11)14-7-6-13-5-4-12-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyAGMOKBCJRUIVDO-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.53
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid

2-[2-(2-methoxyethoxy)ethoxy]butanoic acid (PubChem CID 18318696) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
PubChem CID18318696
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCCC(OCCOCCOC)C(=O)O
InChIInChI=1S/C9H18O5/c1-3-8(9(10)11)14-7-6-13-5-4-12-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyAGMOKBCJRUIVDO-UHFFFAOYSA-N
XLogP0.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
CID 155251143
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
2-(2-methoxyethoxy)butanamide
CID 62900293
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
2-(5-aminopentoxy)butanoic acid
CID 82352847
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid (CID 18318696) is 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid is CCC(OCCOCCOC)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The InChIKey is AGMOKBCJRUIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-3-8(9(10)11)14-7-6-13-5-4-12-2/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid has a molecular weight of 206.24 g/mol, XLogP of 0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]butanoic acid is sourced from PubChem (CID 18318696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).