2,3-dibutyl-2-ethyldodecanoic acid

C22H44O2 — CID 91044194

IUPAC2,3-dibutyl-2-ethyldodecanoic acid
SMILESCCCCCCCCCC(CCCC)C(CC)(CCCC)C(=O)O
InChIInChI=1S/C22H44O2/c1-5-9-12-13-14-15-16-18-20(17-10-6-2)22(8-4,21(23)24)19-11-7-3/h20H,5-19H2,1-4H3,(H,23,24)
InChIKeyFQNSEPVYSRSGDC-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.60
Rot. Bonds17

About 2,3-dibutyl-2-ethyldodecanoic acid

2,3-dibutyl-2-ethyldodecanoic acid (PubChem CID 91044194) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2,3-dibutyl-2-ethyldodecanoic acid.

Molecular Properties

Compound Name2,3-dibutyl-2-ethyldodecanoic acid
PubChem CID91044194
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2,3-dibutyl-2-ethyldodecanoic acid
SMILESCCCCCCCCCC(CCCC)C(CC)(CCCC)C(=O)O
InChIInChI=1S/C22H44O2/c1-5-9-12-13-14-15-16-18-20(17-10-6-2)22(8-4,21(23)24)19-11-7-3/h20H,5-19H2,1-4H3,(H,23,24)
InChIKeyFQNSEPVYSRSGDC-UHFFFAOYSA-N
XLogP7.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibutyl-2-octyldecanoic acid
CID 87603742
2,3-dibutyl-2-ethylhexadecanedioic acid
CID 174745353
3-butyl-2,2-dioctyldecanedioic acid
CID 91189239
16-(13-carboxytridecyl)-17-nonyltetratriacontane-1,16,34-tricarboxylic acid
CID 123152686
2-butyl-2-dodecan-5-ylpropanedioic acid
CID 156789109
15,16,16,18,18,19-hexa(tetradecyl)tritriacontan-17-one
CID 175062470
2,5-dibutyl-2,5-diethyl-3,4-dimethylhexanedioic acid
CID 23347738
2,2-didodecyl-3-nonylpentadecanamide
CID 175756263
2,2,3-tributylheptanethioic S-acid
CID 87744554
5,6-dibutyldodecan-5-ol
CID 91807952
silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365
propane-1,2,3-triol;(Z)-2,2,3-tri(tetradecyl)octadec-9-enoic acid
CID 175217551

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-2-ethyldodecanoic acid?
The IUPAC name of 2,3-dibutyl-2-ethyldodecanoic acid (CID 91044194) is 2,3-dibutyl-2-ethyldodecanoic acid.
What is the SMILES notation for 2,3-dibutyl-2-ethyldodecanoic acid?
The canonical SMILES for 2,3-dibutyl-2-ethyldodecanoic acid is CCCCCCCCCC(CCCC)C(CC)(CCCC)C(=O)O.
What is the InChIKey of 2,3-dibutyl-2-ethyldodecanoic acid?
The InChIKey is FQNSEPVYSRSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-5-9-12-13-14-15-16-18-20(17-10-6-2)22(8-4,21(23)24)19-11-7-3/h20H,5-19H2,1-4H3,(H,23,24).
What are the key properties of 2,3-dibutyl-2-ethyldodecanoic acid?
2,3-dibutyl-2-ethyldodecanoic acid has a molecular weight of 340.59 g/mol, XLogP of 7.60, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-2-ethyldodecanoic acid is sourced from PubChem (CID 91044194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).