2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid

C14H26O6 — CID 166697104

IUPAC2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid
SMILESO=CCOCCCCCOCCCCCOCC(=O)O
InChIInChI=1S/C14H26O6/c15-7-12-19-10-5-1-3-8-18-9-4-2-6-11-20-13-14(16)17/h7H,1-6,8-13H2,(H,16,17)
InChIKeyPYYAKDMKWSTXHJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.66
Rot. Bonds16

About 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid

2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid (PubChem CID 166697104) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid
PubChem CID166697104
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid
SMILESO=CCOCCCCCOCCCCCOCC(=O)O
InChIInChI=1S/C14H26O6/c15-7-12-19-10-5-1-3-8-18-9-4-2-6-11-20-13-14(16)17/h7H,1-6,8-13H2,(H,16,17)
InChIKeyPYYAKDMKWSTXHJ-UHFFFAOYSA-N
XLogP1.66
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-oxoethoxymethylamino)ethoxy]ethoxy]ethoxy]acetic acid
CID 165180045
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-[2-[2-[2-[2-(11-sulfanylundecoxy)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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
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-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
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-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-pentadecoxyacetic acid
CID 19866534

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid?
The IUPAC name of 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid (CID 166697104) is 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid.
What is the SMILES notation for 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid?
The canonical SMILES for 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid is O=CCOCCCCCOCCCCCOCC(=O)O.
What is the InChIKey of 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid?
The InChIKey is PYYAKDMKWSTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c15-7-12-19-10-5-1-3-8-18-9-4-2-6-11-20-13-14(16)17/h7H,1-6,8-13H2,(H,16,17).
What are the key properties of 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid?
2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.66, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid is sourced from PubChem (CID 166697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).