5-ethyl-3,3,5-trimethyloctanoic acid

C13H26O2 — CID 129126671

IUPAC5-ethyl-3,3,5-trimethyloctanoic acid
SMILESCCCC(C)(CC)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H26O2/c1-6-8-13(5,7-2)10-12(3,4)9-11(14)15/h6-10H2,1-5H3,(H,14,15)
InChIKeyJGELMRBLUJFYIY-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.09
Rot. Bonds7

About 5-ethyl-3,3,5-trimethyloctanoic acid

5-ethyl-3,3,5-trimethyloctanoic acid (PubChem CID 129126671) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-ethyl-3,3,5-trimethyloctanoic acid.

Molecular Properties

Compound Name5-ethyl-3,3,5-trimethyloctanoic acid
PubChem CID129126671
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name5-ethyl-3,3,5-trimethyloctanoic acid
SMILESCCCC(C)(CC)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H26O2/c1-6-8-13(5,7-2)10-12(3,4)9-11(14)15/h6-10H2,1-5H3,(H,14,15)
InChIKeyJGELMRBLUJFYIY-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
3,3-dimethyloctanoic acid
CID 20501381
4-methyl-4-propylheptanoic acid
CID 155199633
3-ethyl-3-propylhexanoic acid
CID 174620976
3,3-dimethylnonanoic acid
CID 5282685
5-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 123179044
3-ethyl-3-hydroxypentanoic acid
CID 11513768
3-ethyl-3,5,5-trimethylheptanedihydrazide
CID 118550299
3-amino-3-propylhexanoic acid
CID 64665150
5-ethylsulfonyl-3,3-dimethylpentanoic acid
CID 106735284
4-amino-3,3-dimethylbutanoic acid
CID 910834
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3,5-trimethyloctanoic acid?
The IUPAC name of 5-ethyl-3,3,5-trimethyloctanoic acid (CID 129126671) is 5-ethyl-3,3,5-trimethyloctanoic acid.
What is the SMILES notation for 5-ethyl-3,3,5-trimethyloctanoic acid?
The canonical SMILES for 5-ethyl-3,3,5-trimethyloctanoic acid is CCCC(C)(CC)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-ethyl-3,3,5-trimethyloctanoic acid?
The InChIKey is JGELMRBLUJFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-8-13(5,7-2)10-12(3,4)9-11(14)15/h6-10H2,1-5H3,(H,14,15).
What are the key properties of 5-ethyl-3,3,5-trimethyloctanoic acid?
5-ethyl-3,3,5-trimethyloctanoic acid has a molecular weight of 214.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3,5-trimethyloctanoic acid is sourced from PubChem (CID 129126671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).