2-butyl-2-ethylnonanoic acid

C15H30O2 — CID 57042574

IUPAC2-butyl-2-ethylnonanoic acid
SMILESCCCCCCCC(CC)(CCCC)C(=O)O
InChIInChI=1S/C15H30O2/c1-4-7-9-10-11-13-15(6-3,14(16)17)12-8-5-2/h4-13H2,1-3H3,(H,16,17)
InChIKeyMNCVYGRPPIEGBF-UHFFFAOYSA-N
MW242.40 g/mol
LogP5.02
Rot. Bonds11

About 2-butyl-2-ethylnonanoic acid

2-butyl-2-ethylnonanoic acid (PubChem CID 57042574) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-butyl-2-ethylnonanoic acid.

Molecular Properties

Compound Name2-butyl-2-ethylnonanoic acid
PubChem CID57042574
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-butyl-2-ethylnonanoic acid
SMILESCCCCCCCC(CC)(CCCC)C(=O)O
InChIInChI=1S/C15H30O2/c1-4-7-9-10-11-13-15(6-3,14(16)17)12-8-5-2/h4-13H2,1-3H3,(H,16,17)
InChIKeyMNCVYGRPPIEGBF-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.40
LogP ≤ 55.02
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

2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2,2-dibutyloctanoic acid;neodymium
CID 174758367
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;indigane
CID 175172164
CID 87969329
CID 87969329
2-hexyl-2-propylnonanoic acid
CID 25095857
2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
CID 79425699

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethylnonanoic acid?
The IUPAC name of 2-butyl-2-ethylnonanoic acid (CID 57042574) is 2-butyl-2-ethylnonanoic acid.
What is the SMILES notation for 2-butyl-2-ethylnonanoic acid?
The canonical SMILES for 2-butyl-2-ethylnonanoic acid is CCCCCCCC(CC)(CCCC)C(=O)O.
What is the InChIKey of 2-butyl-2-ethylnonanoic acid?
The InChIKey is MNCVYGRPPIEGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-7-9-10-11-13-15(6-3,14(16)17)12-8-5-2/h4-13H2,1-3H3,(H,16,17).
What are the key properties of 2-butyl-2-ethylnonanoic acid?
2-butyl-2-ethylnonanoic acid has a molecular weight of 242.40 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethylnonanoic acid is sourced from PubChem (CID 57042574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).