2-decoxy-2-ethylbutanoic acid

C16H32O3 — CID 138578040

IUPAC2-decoxy-2-ethylbutanoic acid
SMILESCCCCCCCCCCOC(CC)(CC)C(=O)O
InChIInChI=1S/C16H32O3/c1-4-7-8-9-10-11-12-13-14-19-16(5-2,6-3)15(17)18/h4-14H2,1-3H3,(H,17,18)
InChIKeyVFKNBGTUVUWWRC-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.79
Rot. Bonds13

About 2-decoxy-2-ethylbutanoic acid

2-decoxy-2-ethylbutanoic acid (PubChem CID 138578040) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-decoxy-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-decoxy-2-ethylbutanoic acid
PubChem CID138578040
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2-decoxy-2-ethylbutanoic acid
SMILESCCCCCCCCCCOC(CC)(CC)C(=O)O
InChIInChI=1S/C16H32O3/c1-4-7-8-9-10-11-12-13-14-19-16(5-2,6-3)15(17)18/h4-14H2,1-3H3,(H,17,18)
InChIKeyVFKNBGTUVUWWRC-UHFFFAOYSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.79
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-hexoxy-2-octylbutanedioic acid
CID 54422145
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
2-hexoxy-2-methylpropanoic acid
CID 114989010
2-butoxy-2-propylpentanoic acid
CID 114989192
2,2-didecoxypropanoic acid
CID 101272673
2-(2-chloroethoxy)-2-ethylbutanoic acid
CID 83226256
2-ethyl-2-methoxyoctadecanoic acid
CID 174934080
2-dodecoxy-2-dodecyltetradecanethioic S-acid
CID 88774756
3-butoxy-3-ethyl-2-methylidenepentanoic acid
CID 87115747
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-2-ethylbutanoic acid?
The IUPAC name of 2-decoxy-2-ethylbutanoic acid (CID 138578040) is 2-decoxy-2-ethylbutanoic acid.
What is the SMILES notation for 2-decoxy-2-ethylbutanoic acid?
The canonical SMILES for 2-decoxy-2-ethylbutanoic acid is CCCCCCCCCCOC(CC)(CC)C(=O)O.
What is the InChIKey of 2-decoxy-2-ethylbutanoic acid?
The InChIKey is VFKNBGTUVUWWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-7-8-9-10-11-12-13-14-19-16(5-2,6-3)15(17)18/h4-14H2,1-3H3,(H,17,18).
What are the key properties of 2-decoxy-2-ethylbutanoic acid?
2-decoxy-2-ethylbutanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.79, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-2-ethylbutanoic acid is sourced from PubChem (CID 138578040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).