2-(cyclobutylmethyl)-2-ethylhexanoic acid

C13H24O2 — CID 79425365

IUPAC2-(cyclobutylmethyl)-2-ethylhexanoic acid
SMILESCCCCC(CC)(CC1CCC1)C(=O)O
InChIInChI=1S/C13H24O2/c1-3-5-9-13(4-2,12(14)15)10-11-7-6-8-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyQDCOENBQUHNWCU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds7

About 2-(cyclobutylmethyl)-2-ethylhexanoic acid

2-(cyclobutylmethyl)-2-ethylhexanoic acid (PubChem CID 79425365) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-2-ethylhexanoic acid.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-2-ethylhexanoic acid
PubChem CID79425365
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(cyclobutylmethyl)-2-ethylhexanoic acid
SMILESCCCCC(CC)(CC1CCC1)C(=O)O
InChIInChI=1S/C13H24O2/c1-3-5-9-13(4-2,12(14)15)10-11-7-6-8-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyQDCOENBQUHNWCU-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
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-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-butyl-2-ethylnonanoic acid
CID 57042574
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
CID 89130473
CID 89130473
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-2-ethylhexanoic acid?
The IUPAC name of 2-(cyclobutylmethyl)-2-ethylhexanoic acid (CID 79425365) is 2-(cyclobutylmethyl)-2-ethylhexanoic acid.
What is the SMILES notation for 2-(cyclobutylmethyl)-2-ethylhexanoic acid?
The canonical SMILES for 2-(cyclobutylmethyl)-2-ethylhexanoic acid is CCCCC(CC)(CC1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutylmethyl)-2-ethylhexanoic acid?
The InChIKey is QDCOENBQUHNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-9-13(4-2,12(14)15)10-11-7-6-8-11/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(cyclobutylmethyl)-2-ethylhexanoic acid?
2-(cyclobutylmethyl)-2-ethylhexanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-2-ethylhexanoic acid is sourced from PubChem (CID 79425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).