2-butyl-2-ethyl-5-methylhexanoic acid

C13H26O2 — CID 63402909

IUPAC2-butyl-2-ethyl-5-methylhexanoic acid
SMILESCCCCC(CC)(CCC(C)C)C(=O)O
InChIInChI=1S/C13H26O2/c1-5-7-9-13(6-2,12(14)15)10-8-11(3)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyKWLSHCDOGDQISU-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.09
Rot. Bonds8

About 2-butyl-2-ethyl-5-methylhexanoic acid

2-butyl-2-ethyl-5-methylhexanoic acid (PubChem CID 63402909) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-butyl-2-ethyl-5-methylhexanoic acid.

Molecular Properties

Compound Name2-butyl-2-ethyl-5-methylhexanoic acid
PubChem CID63402909
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-butyl-2-ethyl-5-methylhexanoic acid
SMILESCCCCC(CC)(CCC(C)C)C(=O)O
InChIInChI=1S/C13H26O2/c1-5-7-9-13(6-2,12(14)15)10-8-11(3)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyKWLSHCDOGDQISU-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2-ethylnonanoic acid
CID 57042574
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
2,2-diethyl-8-methylnonanoic acid
CID 162011616
2-butyl-2-ethyl-4-methyldecanoic acid
CID 170305038
2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
CID 79425699
CID 89130473
CID 89130473
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2-(5,5-dimethylhexyl)-2-(6-methylheptyl)tetradecanoic acid
CID 91372377

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-5-methylhexanoic acid?
The IUPAC name of 2-butyl-2-ethyl-5-methylhexanoic acid (CID 63402909) is 2-butyl-2-ethyl-5-methylhexanoic acid.
What is the SMILES notation for 2-butyl-2-ethyl-5-methylhexanoic acid?
The canonical SMILES for 2-butyl-2-ethyl-5-methylhexanoic acid is CCCCC(CC)(CCC(C)C)C(=O)O.
What is the InChIKey of 2-butyl-2-ethyl-5-methylhexanoic acid?
The InChIKey is KWLSHCDOGDQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-7-9-13(6-2,12(14)15)10-8-11(3)4/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-butyl-2-ethyl-5-methylhexanoic acid?
2-butyl-2-ethyl-5-methylhexanoic acid has a molecular weight of 214.35 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-5-methylhexanoic acid is sourced from PubChem (CID 63402909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).