6-ethoxyhexanoic acid

C8H16O3 — CID 23190866

IUPAC6-ethoxyhexanoic acid
SMILESCCOCCCCCC(=O)O
InChIInChI=1S/C8H16O3/c1-2-11-7-5-3-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyRLYWGHFLZRIVDD-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.67
Rot. Bonds7

About 6-ethoxyhexanoic acid

6-ethoxyhexanoic acid (PubChem CID 23190866) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6-ethoxyhexanoic acid.

Molecular Properties

Compound Name6-ethoxyhexanoic acid
PubChem CID23190866
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6-ethoxyhexanoic acid
SMILESCCOCCCCCC(=O)O
InChIInChI=1S/C8H16O3/c1-2-11-7-5-3-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyRLYWGHFLZRIVDD-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhexanoic acid?
The IUPAC name of 6-ethoxyhexanoic acid (CID 23190866) is 6-ethoxyhexanoic acid.
What is the SMILES notation for 6-ethoxyhexanoic acid?
The canonical SMILES for 6-ethoxyhexanoic acid is CCOCCCCCC(=O)O.
What is the InChIKey of 6-ethoxyhexanoic acid?
The InChIKey is RLYWGHFLZRIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-11-7-5-3-4-6-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of 6-ethoxyhexanoic acid?
6-ethoxyhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyhexanoic acid is sourced from PubChem (CID 23190866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).