4-butoxy-3-ethoxybutanoic acid

C10H20O4 — CID 88787167

IUPAC4-butoxy-3-ethoxybutanoic acid
SMILESCCCCOCC(CC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-3-5-6-13-8-9(14-4-2)7-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyBENHGBAVQIBMFZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds9

About 4-butoxy-3-ethoxybutanoic acid

4-butoxy-3-ethoxybutanoic acid (PubChem CID 88787167) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-butoxy-3-ethoxybutanoic acid.

Molecular Properties

Compound Name4-butoxy-3-ethoxybutanoic acid
PubChem CID88787167
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-butoxy-3-ethoxybutanoic acid
SMILESCCCCOCC(CC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-3-5-6-13-8-9(14-4-2)7-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyBENHGBAVQIBMFZ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-pentoxypropanoic acid
CID 63074511
1-butoxypropan-2-ol;propanoic acid
CID 87504807
4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
CID 103159975
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296
3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid
CID 63072935
2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
acetic acid;1-butoxybutane
CID 22256220
2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87566877
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-(butoxymethyl)-N-methylpentanamide
CID 140571341
(2R)-2-ethoxybutanedioic acid
CID 101245963
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxybutanoic acid?
The IUPAC name of 4-butoxy-3-ethoxybutanoic acid (CID 88787167) is 4-butoxy-3-ethoxybutanoic acid.
What is the SMILES notation for 4-butoxy-3-ethoxybutanoic acid?
The canonical SMILES for 4-butoxy-3-ethoxybutanoic acid is CCCCOCC(CC(=O)O)OCC.
What is the InChIKey of 4-butoxy-3-ethoxybutanoic acid?
The InChIKey is BENHGBAVQIBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-5-6-13-8-9(14-4-2)7-10(11)12/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-butoxy-3-ethoxybutanoic acid?
4-butoxy-3-ethoxybutanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxybutanoic acid is sourced from PubChem (CID 88787167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).