4-(7-methoxyheptoxy)butanoic acid

C12H24O4 — CID 15409527

IUPAC4-(7-methoxyheptoxy)butanoic acid
SMILESCOCCCCCCCOCCCC(=O)O
InChIInChI=1S/C12H24O4/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyIRQFQKKSHSZJSH-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds12

About 4-(7-methoxyheptoxy)butanoic acid

4-(7-methoxyheptoxy)butanoic acid (PubChem CID 15409527) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(7-methoxyheptoxy)butanoic acid.

Molecular Properties

Compound Name4-(7-methoxyheptoxy)butanoic acid
PubChem CID15409527
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-(7-methoxyheptoxy)butanoic acid
SMILESCOCCCCCCCOCCCC(=O)O
InChIInChI=1S/C12H24O4/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyIRQFQKKSHSZJSH-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
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-(3-methoxypropoxy)butanoic acid
CID 60918159
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-(7-methoxyheptoxy)butanoyl chloride
CID 15383030
formamide;5-(2-methoxyethoxy)pentanoic acid
CID 163225879
8-bromooctanoic acid;8-methoxyoctanoic acid
CID 159933343
15-pentoxypentadecanoic acid
CID 89280169
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
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

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxyheptoxy)butanoic acid?
The IUPAC name of 4-(7-methoxyheptoxy)butanoic acid (CID 15409527) is 4-(7-methoxyheptoxy)butanoic acid.
What is the SMILES notation for 4-(7-methoxyheptoxy)butanoic acid?
The canonical SMILES for 4-(7-methoxyheptoxy)butanoic acid is COCCCCCCCOCCCC(=O)O.
What is the InChIKey of 4-(7-methoxyheptoxy)butanoic acid?
The InChIKey is IRQFQKKSHSZJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of 4-(7-methoxyheptoxy)butanoic acid?
4-(7-methoxyheptoxy)butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxyheptoxy)butanoic acid is sourced from PubChem (CID 15409527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).