7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid

C13H26O5 — CID 23631652

IUPAC7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
SMILESCCOCCOCCOCCCCCCC(=O)O
InChIInChI=1S/C13H26O5/c1-2-16-9-10-18-12-11-17-8-6-4-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyUODUUNCKBJJHJD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds14

About 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid

7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid (PubChem CID 23631652) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid.

Molecular Properties

Compound Name7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
PubChem CID23631652
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
SMILESCCOCCOCCOCCCCCCC(=O)O
InChIInChI=1S/C13H26O5/c1-2-16-9-10-18-12-11-17-8-6-4-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyUODUUNCKBJJHJD-UHFFFAOYSA-N
XLogP2.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.09
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

15-pentoxypentadecanoic acid
CID 89280169
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
8-(3-carboxypropoxy)octanoic acid
CID 154155651
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
3-ethoxypropan-1-ol;octadecanoic acid
CID 174469780
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
8-ethoxy-6-oxooctanoic acid
CID 154310113
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid?
The IUPAC name of 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid (CID 23631652) is 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid.
What is the SMILES notation for 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid?
The canonical SMILES for 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid is CCOCCOCCOCCCCCCC(=O)O.
What is the InChIKey of 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid?
The InChIKey is UODUUNCKBJJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-2-16-9-10-18-12-11-17-8-6-4-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15).
What are the key properties of 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid?
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.09, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid is sourced from PubChem (CID 23631652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).