4-(3-methoxypropoxy)butanoic acid

C8H16O4 — CID 60918159

IUPAC4-(3-methoxypropoxy)butanoic acid
SMILESCOCCCOCCCC(=O)O
InChIInChI=1S/C8H16O4/c1-11-5-3-7-12-6-2-4-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyNOPYXXWIGSJVLV-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds8

About 4-(3-methoxypropoxy)butanoic acid

4-(3-methoxypropoxy)butanoic acid (PubChem CID 60918159) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxypropoxy)butanoic acid
PubChem CID60918159
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4-(3-methoxypropoxy)butanoic acid
SMILESCOCCCOCCCC(=O)O
InChIInChI=1S/C8H16O4/c1-11-5-3-7-12-6-2-4-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyNOPYXXWIGSJVLV-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
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

4-(7-methoxyheptoxy)butanoic acid
CID 15409527
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
8-(3-carboxypropoxy)octanoic acid
CID 154155651
formamide;5-(2-methoxyethoxy)pentanoic acid
CID 163225879
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
5-(3-methoxypropoxy)pentanamide
CID 135179275
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)butanoic acid?
The IUPAC name of 4-(3-methoxypropoxy)butanoic acid (CID 60918159) is 4-(3-methoxypropoxy)butanoic acid.
What is the SMILES notation for 4-(3-methoxypropoxy)butanoic acid?
The canonical SMILES for 4-(3-methoxypropoxy)butanoic acid is COCCCOCCCC(=O)O.
What is the InChIKey of 4-(3-methoxypropoxy)butanoic acid?
The InChIKey is NOPYXXWIGSJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-11-5-3-7-12-6-2-4-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of 4-(3-methoxypropoxy)butanoic acid?
4-(3-methoxypropoxy)butanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)butanoic acid is sourced from PubChem (CID 60918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).