2-[2-(3-methoxypropoxy)ethoxy]acetic acid

C8H16O5 — CID 54027919

IUPAC2-[2-(3-methoxypropoxy)ethoxy]acetic acid
SMILESCOCCCOCCOCC(=O)O
InChIInChI=1S/C8H16O5/c1-11-3-2-4-12-5-6-13-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyLDNOLZKCEGCTMT-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.14
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethoxy]acetic acid

2-[2-(3-methoxypropoxy)ethoxy]acetic acid (PubChem CID 54027919) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]acetic acid
PubChem CID54027919
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]acetic acid
SMILESCOCCCOCCOCC(=O)O
InChIInChI=1S/C8H16O5/c1-11-3-2-4-12-5-6-13-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyLDNOLZKCEGCTMT-UHFFFAOYSA-N
XLogP0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.14
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-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
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]acetic acid
CID 15118673
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
4-(3-methoxypropoxy)butanoic acid
CID 60918159
2-(3-pentoxypropoxy)acetic acid
CID 87690059
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]acetic acid (CID 54027919) is 2-[2-(3-methoxypropoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]acetic acid is COCCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]acetic acid?
The InChIKey is LDNOLZKCEGCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-11-3-2-4-12-5-6-13-7-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]acetic acid?
2-[2-(3-methoxypropoxy)ethoxy]acetic acid has a molecular weight of 192.21 g/mol, XLogP of 0.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]acetic acid is sourced from PubChem (CID 54027919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).