6,6-diethoxyhexanoic acid

C10H20O4 — CID 86175570

IUPAC6,6-diethoxyhexanoic acid
SMILESCCOC(CCCCC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-3-13-10(14-4-2)8-6-5-7-9(11)12/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyMDPUQHLXHMKNGQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.03
Rot. Bonds9

About 6,6-diethoxyhexanoic acid

6,6-diethoxyhexanoic acid (PubChem CID 86175570) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6,6-diethoxyhexanoic acid.

Molecular Properties

Compound Name6,6-diethoxyhexanoic acid
PubChem CID86175570
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name6,6-diethoxyhexanoic acid
SMILESCCOC(CCCCC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-3-13-10(14-4-2)8-6-5-7-9(11)12/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyMDPUQHLXHMKNGQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethoxyhexanoic acid?
The IUPAC name of 6,6-diethoxyhexanoic acid (CID 86175570) is 6,6-diethoxyhexanoic acid.
What is the SMILES notation for 6,6-diethoxyhexanoic acid?
The canonical SMILES for 6,6-diethoxyhexanoic acid is CCOC(CCCCC(=O)O)OCC.
What is the InChIKey of 6,6-diethoxyhexanoic acid?
The InChIKey is MDPUQHLXHMKNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-13-10(14-4-2)8-6-5-7-9(11)12/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 6,6-diethoxyhexanoic acid?
6,6-diethoxyhexanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethoxyhexanoic acid is sourced from PubChem (CID 86175570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).