24-(4-methoxybutoxy)-20-oxotetracosanoic acid

C29H56O5 — CID 58527676

IUPAC24-(4-methoxybutoxy)-20-oxotetracosanoic acid
SMILESCOCCCCOCCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H56O5/c1-33-25-20-21-27-34-26-19-18-23-28(30)22-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-24-29(31)32/h2-27H2,1H3,(H,31,32)
InChIKeyWHTSOIQXVUQHIX-UHFFFAOYSA-N
MW484.76 g/mol
LogP8.28
Rot. Bonds29

About 24-(4-methoxybutoxy)-20-oxotetracosanoic acid

24-(4-methoxybutoxy)-20-oxotetracosanoic acid (PubChem CID 58527676) has the molecular formula C29H56O5 and a molecular weight of 484.76 g/mol. Its IUPAC name is 24-(4-methoxybutoxy)-20-oxotetracosanoic acid.

Molecular Properties

Compound Name24-(4-methoxybutoxy)-20-oxotetracosanoic acid
PubChem CID58527676
Molecular FormulaC29H56O5
Molecular Weight484.76 g/mol
Exact Mass484.41
IUPAC Name24-(4-methoxybutoxy)-20-oxotetracosanoic acid
SMILESCOCCCCOCCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C29H56O5/c1-33-25-20-21-27-34-26-19-18-23-28(30)22-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-24-29(31)32/h2-27H2,1H3,(H,31,32)
InChIKeyWHTSOIQXVUQHIX-UHFFFAOYSA-N
XLogP8.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.76
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
4-(3-methoxypropoxy)butanoic acid
CID 60918159
8-bromooctanoic acid;8-methoxyoctanoic acid
CID 159933343
8-(3-carboxypropoxy)octanoic acid
CID 154155651
formamide;5-(2-methoxyethoxy)pentanoic acid
CID 163225879
15-pentoxypentadecanoic acid
CID 89280169
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid
CID 156738604
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
5-(3-methoxypropoxy)pentanamide
CID 135179275
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017

Frequently Asked Questions

What is the IUPAC name of 24-(4-methoxybutoxy)-20-oxotetracosanoic acid?
The IUPAC name of 24-(4-methoxybutoxy)-20-oxotetracosanoic acid (CID 58527676) is 24-(4-methoxybutoxy)-20-oxotetracosanoic acid.
What is the SMILES notation for 24-(4-methoxybutoxy)-20-oxotetracosanoic acid?
The canonical SMILES for 24-(4-methoxybutoxy)-20-oxotetracosanoic acid is COCCCCOCCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 24-(4-methoxybutoxy)-20-oxotetracosanoic acid?
The InChIKey is WHTSOIQXVUQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O5/c1-33-25-20-21-27-34-26-19-18-23-28(30)22-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-24-29(31)32/h2-27H2,1H3,(H,31,32).
What are the key properties of 24-(4-methoxybutoxy)-20-oxotetracosanoic acid?
24-(4-methoxybutoxy)-20-oxotetracosanoic acid has a molecular weight of 484.76 g/mol, XLogP of 8.28, 29 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4-methoxybutoxy)-20-oxotetracosanoic acid is sourced from PubChem (CID 58527676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).