2-ethyl-2-methoxyoctadecanoic acid

C21H42O3 — CID 174934080

IUPAC2-ethyl-2-methoxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CC)(OC)C(=O)O
InChIInChI=1S/C21H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(5-2,24-3)20(22)23/h4-19H2,1-3H3,(H,22,23)
InChIKeySYLDOGLNHKHEQH-UHFFFAOYSA-N
MW342.56 g/mol
LogP6.74
Rot. Bonds18

About 2-ethyl-2-methoxyoctadecanoic acid

2-ethyl-2-methoxyoctadecanoic acid (PubChem CID 174934080) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is 2-ethyl-2-methoxyoctadecanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methoxyoctadecanoic acid
PubChem CID174934080
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name2-ethyl-2-methoxyoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CC)(OC)C(=O)O
InChIInChI=1S/C21H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(5-2,24-3)20(22)23/h4-19H2,1-3H3,(H,22,23)
InChIKeySYLDOGLNHKHEQH-UHFFFAOYSA-N
XLogP6.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 56.74
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-butoxy-2-ethyloctadecanoic acid
CID 87089567
2-ethyl-2-methylperoxyhexanoic acid
CID 175904279
2-decoxy-2-ethylbutanoic acid
CID 138578040
2-ethyl-2-(trimethoxymethyl)decanoic acid
CID 150650592
2-acetyloxy-2-propyloctanoic acid
CID 175290994
2-hexoxy-2-octylbutanedioic acid
CID 54422145
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
triacontane-1,1,1-tricarboxylic acid
CID 141175641
2-dodecyl-2-octyltetradecanoic acid
CID 24889792

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxyoctadecanoic acid?
The IUPAC name of 2-ethyl-2-methoxyoctadecanoic acid (CID 174934080) is 2-ethyl-2-methoxyoctadecanoic acid.
What is the SMILES notation for 2-ethyl-2-methoxyoctadecanoic acid?
The canonical SMILES for 2-ethyl-2-methoxyoctadecanoic acid is CCCCCCCCCCCCCCCCC(CC)(OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-methoxyoctadecanoic acid?
The InChIKey is SYLDOGLNHKHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(5-2,24-3)20(22)23/h4-19H2,1-3H3,(H,22,23).
What are the key properties of 2-ethyl-2-methoxyoctadecanoic acid?
2-ethyl-2-methoxyoctadecanoic acid has a molecular weight of 342.56 g/mol, XLogP of 6.74, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxyoctadecanoic acid is sourced from PubChem (CID 174934080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).