2-decoxydecanoic acid

C20H40O3 — CID 152638766

IUPAC2-decoxydecanoic acid
SMILESCCCCCCCCCCOC(CCCCCCCC)C(=O)O
InChIInChI=1S/C20H40O3/c1-3-5-7-9-11-12-14-16-18-23-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyZFCNSJSPTDOJOF-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.35
Rot. Bonds18

About 2-decoxydecanoic acid

2-decoxydecanoic acid (PubChem CID 152638766) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-decoxydecanoic acid.

Molecular Properties

Compound Name2-decoxydecanoic acid
PubChem CID152638766
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name2-decoxydecanoic acid
SMILESCCCCCCCCCCOC(CCCCCCCC)C(=O)O
InChIInChI=1S/C20H40O3/c1-3-5-7-9-11-12-14-16-18-23-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyZFCNSJSPTDOJOF-UHFFFAOYSA-N
XLogP6.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-ethoxyicosanoic acid
CID 86106777
12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
CID 175760770
2-nonadecoxybutanedioic acid
CID 122611322
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494
2-(2-phenoxyethoxy)tetradecanoic acid
CID 122611876
2-tetradec-6-enoxybutanoic acid
CID 90725661
2-acetyloxyhexadecanoic acid
CID 15599534

Frequently Asked Questions

What is the IUPAC name of 2-decoxydecanoic acid?
The IUPAC name of 2-decoxydecanoic acid (CID 152638766) is 2-decoxydecanoic acid.
What is the SMILES notation for 2-decoxydecanoic acid?
The canonical SMILES for 2-decoxydecanoic acid is CCCCCCCCCCOC(CCCCCCCC)C(=O)O.
What is the InChIKey of 2-decoxydecanoic acid?
The InChIKey is ZFCNSJSPTDOJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-3-5-7-9-11-12-14-16-18-23-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22).
What are the key properties of 2-decoxydecanoic acid?
2-decoxydecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 6.35, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxydecanoic acid is sourced from PubChem (CID 152638766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).