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

C13H26O7 — CID 163504653

IUPAC2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCC(O)CCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C13H26O7/c1-2-12(14)3-4-17-5-6-18-7-8-19-9-10-20-11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyUBNIEGITLSYJKN-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.30
Rot. Bonds15

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

2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 163504653) has the molecular formula C13H26O7 and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID163504653
Molecular FormulaC13H26O7
Molecular Weight294.34 g/mol
Exact Mass294.17
IUPAC Name2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCC(O)CCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C13H26O7/c1-2-12(14)3-4-17-5-6-18-7-8-19-9-10-20-11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyUBNIEGITLSYJKN-UHFFFAOYSA-N
XLogP0.30
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
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-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
CID 166714903
1-(3-hydroxypentylperoxy)pentan-3-ol
CID 141103396
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid (CID 163504653) is 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid is CCC(O)CCOCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is UBNIEGITLSYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7/c1-2-12(14)3-4-17-5-6-18-7-8-19-9-10-20-11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 294.34 g/mol, XLogP of 0.30, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 163504653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).