4-methoxydodecanoic acid

C13H26O3 — CID 141170784

IUPAC4-methoxydodecanoic acid
SMILESCCCCCCCCC(CCC(=O)O)OC
InChIInChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-12(16-2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyNXICMGVVKSISAB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.62
Rot. Bonds11

About 4-methoxydodecanoic acid

4-methoxydodecanoic acid (PubChem CID 141170784) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxydodecanoic acid.

Molecular Properties

Compound Name4-methoxydodecanoic acid
PubChem CID141170784
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name4-methoxydodecanoic acid
SMILESCCCCCCCCC(CCC(=O)O)OC
InChIInChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-12(16-2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyNXICMGVVKSISAB-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxydodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-methoxyhenicosanoic acid
CID 15389271
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
7,9,13-trimethoxyoctadecanoic acid
CID 22371558
3-methoxynonanoic acid
CID 139673009
4-hexadecanoyloxyheptadecanoic acid
CID 133048871
4-tetracosanoyloxyicosanoic acid
CID 133051659
4-tetradecanoyloxydocosanoic acid
CID 133048429
4-acetyloxynonanoic acid
CID 168891082
13-hydroperoxyoctadecanoic acid
CID 86209099
methyl (13R)-13-methoxynonadecanoate
CID 163048020
(5S)-5-methoxyundecane
CID 118889956
4-pentadecan-8-yloxybutanoic acid
CID 138728813

Frequently Asked Questions

What is the IUPAC name of 4-methoxydodecanoic acid?
The IUPAC name of 4-methoxydodecanoic acid (CID 141170784) is 4-methoxydodecanoic acid.
What is the SMILES notation for 4-methoxydodecanoic acid?
The canonical SMILES for 4-methoxydodecanoic acid is CCCCCCCCC(CCC(=O)O)OC.
What is the InChIKey of 4-methoxydodecanoic acid?
The InChIKey is NXICMGVVKSISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-12(16-2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxydodecanoic acid?
4-methoxydodecanoic acid has a molecular weight of 230.35 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxydodecanoic acid is sourced from PubChem (CID 141170784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).