4-(1-ethoxypropan-2-yloxy)butanoic acid

C9H18O4 — CID 103486155

IUPAC4-(1-ethoxypropan-2-yloxy)butanoic acid
SMILESCCOCC(C)OCCCC(=O)O
InChIInChI=1S/C9H18O4/c1-3-12-7-8(2)13-6-4-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyBFJXLYBHPKBDKV-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds8

About 4-(1-ethoxypropan-2-yloxy)butanoic acid

4-(1-ethoxypropan-2-yloxy)butanoic acid (PubChem CID 103486155) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)butanoic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)butanoic acid
PubChem CID103486155
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4-(1-ethoxypropan-2-yloxy)butanoic acid
SMILESCCOCC(C)OCCCC(=O)O
InChIInChI=1S/C9H18O4/c1-3-12-7-8(2)13-6-4-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyBFJXLYBHPKBDKV-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
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

Propylene glycol dibutyrate
CID 170948
Dibutyrin
CID 10177014
Poly(oxy-1,2-ethanediyl), alpha-(3-carboxy-1-oxopropyl)-omega-methoxy-
CID 245422
1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate
CID 122920
4-Butoxybutanoic acid
CID 41562
4-(2-Methoxyethoxy)butanoic acid
CID 16718859
[(2S)-2-butanoyloxy-3-hydroxypropyl] butanoate
CID 5327007
2-[2-(2-Methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate
CID 71457230
4-(Propan-2-yloxy)butanoic acid
CID 24705328
4-(Butanoyloxy)butanoic acid
CID 57228923
4-(2-{[4-(Tert-butoxy)-4-oxobutanoyl]oxy}ethoxy)-4-oxobutanoic acid
CID 145913581
2-(2-Ethoxyethoxy)ethyl 2-hydroxybutanoate
CID 71460896

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)butanoic acid?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)butanoic acid (CID 103486155) is 4-(1-ethoxypropan-2-yloxy)butanoic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)butanoic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)butanoic acid is CCOCC(C)OCCCC(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)butanoic acid?
The InChIKey is BFJXLYBHPKBDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-12-7-8(2)13-6-4-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)butanoic acid?
4-(1-ethoxypropan-2-yloxy)butanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)butanoic acid is sourced from PubChem (CID 103486155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).