2-(8-ethoxyoctoxy)acetic acid

C12H24O4 — CID 141124770

IUPAC2-(8-ethoxyoctoxy)acetic acid
SMILESCCOCCCCCCCCOCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-15-9-7-5-3-4-6-8-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyVPIVOALNYAWMPE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds12

About 2-(8-ethoxyoctoxy)acetic acid

2-(8-ethoxyoctoxy)acetic acid (PubChem CID 141124770) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(8-ethoxyoctoxy)acetic acid.

Molecular Properties

Compound Name2-(8-ethoxyoctoxy)acetic acid
PubChem CID141124770
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(8-ethoxyoctoxy)acetic acid
SMILESCCOCCCCCCCCOCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-15-9-7-5-3-4-6-8-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyVPIVOALNYAWMPE-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
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-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
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
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-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
sodium;2-decoxyacetic acid;hydride
CID 173154900
2-(3-pentoxypropoxy)acetic acid
CID 87690059
2-ethoxyacetic acid
CID 159744705

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethoxyoctoxy)acetic acid?
The IUPAC name of 2-(8-ethoxyoctoxy)acetic acid (CID 141124770) is 2-(8-ethoxyoctoxy)acetic acid.
What is the SMILES notation for 2-(8-ethoxyoctoxy)acetic acid?
The canonical SMILES for 2-(8-ethoxyoctoxy)acetic acid is CCOCCCCCCCCOCC(=O)O.
What is the InChIKey of 2-(8-ethoxyoctoxy)acetic acid?
The InChIKey is VPIVOALNYAWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-2-15-9-7-5-3-4-6-8-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of 2-(8-ethoxyoctoxy)acetic acid?
2-(8-ethoxyoctoxy)acetic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethoxyoctoxy)acetic acid is sourced from PubChem (CID 141124770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).