4-(2-methoxyethoxy)pentanoic acid

C8H16O4 — CID 62215225

IUPAC4-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOC(C)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-7(3-4-8(9)10)12-6-5-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyISMBLYDXQDSAMT-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds7

About 4-(2-methoxyethoxy)pentanoic acid

4-(2-methoxyethoxy)pentanoic acid (PubChem CID 62215225) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)pentanoic acid
PubChem CID62215225
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOC(C)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-7(3-4-8(9)10)12-6-5-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyISMBLYDXQDSAMT-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
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

4-(2-butoxyethoxy)pentanoic acid
CID 62213441
4-[3-(methylamino)butoxy]pentanoic acid
CID 167017685
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
CID 170107362
4-acetyloxypentanoic acid
CID 14737198
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
14-(2-hydroxyethoxy)pentadecanoic acid
CID 173440000
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-methoxypropanoic acid;yttrium
CID 87432975
2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
CID 166880021

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of 4-(2-methoxyethoxy)pentanoic acid (CID 62215225) is 4-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for 4-(2-methoxyethoxy)pentanoic acid is COCCOC(C)CCC(=O)O.
What is the InChIKey of 4-(2-methoxyethoxy)pentanoic acid?
The InChIKey is ISMBLYDXQDSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(3-4-8(9)10)12-6-5-11-2/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-(2-methoxyethoxy)pentanoic acid?
4-(2-methoxyethoxy)pentanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 62215225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).