2-butoxy-2-ethyloctadecanoic acid

C24H48O3 — CID 87089567

IUPAC2-butoxy-2-ethyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CC)(OCCCC)C(=O)O
InChIInChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24(6-3,23(25)26)27-22-8-5-2/h4-22H2,1-3H3,(H,25,26)
InChIKeyOFARFTLPKXJXPE-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.91
Rot. Bonds21

About 2-butoxy-2-ethyloctadecanoic acid

2-butoxy-2-ethyloctadecanoic acid (PubChem CID 87089567) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-butoxy-2-ethyloctadecanoic acid.

Molecular Properties

Compound Name2-butoxy-2-ethyloctadecanoic acid
PubChem CID87089567
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name2-butoxy-2-ethyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CC)(OCCCC)C(=O)O
InChIInChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24(6-3,23(25)26)27-22-8-5-2/h4-22H2,1-3H3,(H,25,26)
InChIKeyOFARFTLPKXJXPE-UHFFFAOYSA-N
XLogP7.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.91
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-decoxy-2-ethylbutanoic acid
CID 138578040
2-hexoxy-2-octylbutanedioic acid
CID 54422145
2-ethyl-2-methoxyoctadecanoic acid
CID 174934080
2-butoxy-2-propylpentanoic acid
CID 114989192
2-dodecoxy-2-dodecyltetradecanethioic S-acid
CID 88774756
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid
CID 18318687
3-butoxy-3-ethyl-2-methylidenepentanoic acid
CID 87115747
(2S)-2-[di(nonyl)amino]-4-nonoxy-2,4-di(nonyl)-3-oxotridecanoic acid
CID 177045189
2-acetyloxy-2-propyloctanoic acid
CID 175290994
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-ethoxy-2-methylnonanoic acid
CID 78969453

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-ethyloctadecanoic acid?
The IUPAC name of 2-butoxy-2-ethyloctadecanoic acid (CID 87089567) is 2-butoxy-2-ethyloctadecanoic acid.
What is the SMILES notation for 2-butoxy-2-ethyloctadecanoic acid?
The canonical SMILES for 2-butoxy-2-ethyloctadecanoic acid is CCCCCCCCCCCCCCCCC(CC)(OCCCC)C(=O)O.
What is the InChIKey of 2-butoxy-2-ethyloctadecanoic acid?
The InChIKey is OFARFTLPKXJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24(6-3,23(25)26)27-22-8-5-2/h4-22H2,1-3H3,(H,25,26).
What are the key properties of 2-butoxy-2-ethyloctadecanoic acid?
2-butoxy-2-ethyloctadecanoic acid has a molecular weight of 384.65 g/mol, XLogP of 7.91, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-ethyloctadecanoic acid is sourced from PubChem (CID 87089567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).