2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C25H50O8 — CID 58975663

IUPAC2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C25H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27/h2-24H2,1H3,(H,26,27)
InChIKeyVGWVJEFGGPSRLX-UHFFFAOYSA-N
MW478.67 g/mol
LogP4.48
Rot. Bonds29

About 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 58975663) has the molecular formula C25H50O8 and a molecular weight of 478.67 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID58975663
Molecular FormulaC25H50O8
Molecular Weight478.67 g/mol
Exact Mass478.35
IUPAC Name2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C25H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27/h2-24H2,1H3,(H,26,27)
InChIKeyVGWVJEFGGPSRLX-UHFFFAOYSA-N
XLogP4.48
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[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-octadecoxyacetic acid
CID 4147678
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-(3-pentoxypropoxy)acetic acid
CID 87690059
sodium;2-decoxyacetic acid;hydride
CID 173154900
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 58975663) is 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is VGWVJEFGGPSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27/h2-24H2,1H3,(H,26,27).
What are the key properties of 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 478.67 g/mol, XLogP of 4.48, 29 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 58975663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).