5,5-diethoxyhexanoic acid

C10H20O4 — CID 174569404

IUPAC5,5-diethoxyhexanoic acid
SMILESCCOC(C)(CCCC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-4-13-10(3,14-5-2)8-6-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyNJIKAFWZWILEGG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.03
Rot. Bonds8

About 5,5-diethoxyhexanoic acid

5,5-diethoxyhexanoic acid (PubChem CID 174569404) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5,5-diethoxyhexanoic acid.

Molecular Properties

Compound Name5,5-diethoxyhexanoic acid
PubChem CID174569404
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name5,5-diethoxyhexanoic acid
SMILESCCOC(C)(CCCC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-4-13-10(3,14-5-2)8-6-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyNJIKAFWZWILEGG-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,5,5-tetraethoxyhexane
CID 42611383
ethyl 4,4-diethoxypentanoate
CID 523027
2,2-diethoxynonane
CID 89439020
5,5-difluorohexanoic acid
CID 53418167
ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
CID 173029770
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
5,5-diethoxy-3-oxohexanoic acid
CID 175246383
4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
CID 88969016
chloromethane;pentanedioic acid
CID 159659659
5,5-dimethyloct-7-enoic acid
CID 155168828
butane;hexanoic acid
CID 87467677
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxyhexanoic acid?
The IUPAC name of 5,5-diethoxyhexanoic acid (CID 174569404) is 5,5-diethoxyhexanoic acid.
What is the SMILES notation for 5,5-diethoxyhexanoic acid?
The canonical SMILES for 5,5-diethoxyhexanoic acid is CCOC(C)(CCCC(=O)O)OCC.
What is the InChIKey of 5,5-diethoxyhexanoic acid?
The InChIKey is NJIKAFWZWILEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-13-10(3,14-5-2)8-6-7-9(11)12/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 5,5-diethoxyhexanoic acid?
5,5-diethoxyhexanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxyhexanoic acid is sourced from PubChem (CID 174569404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).