2-ethoxy-2-ethyl-3-methylbutanoic acid

C9H18O3 — CID 116768994

IUPAC2-ethoxy-2-ethyl-3-methylbutanoic acid
SMILESCCOC(CC)(C(=O)O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-9(7(3)4,8(10)11)12-6-2/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyVFTCGSILWOIGGL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds5

About 2-ethoxy-2-ethyl-3-methylbutanoic acid

2-ethoxy-2-ethyl-3-methylbutanoic acid (PubChem CID 116768994) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-3-methylbutanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-3-methylbutanoic acid
PubChem CID116768994
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethoxy-2-ethyl-3-methylbutanoic acid
SMILESCCOC(CC)(C(=O)O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-9(7(3)4,8(10)11)12-6-2/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyVFTCGSILWOIGGL-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethoxy-2-ethyl-3-hydroxybutanedioic acid;2-hydroxyacetic acid
CID 174815037
2-ethoxy-2-[ethoxy-(hexanoylamino)methyl]butanoic acid
CID 87409012
2-acetyloxy-2-ethyl-3-hydroxyhexanoic acid
CID 57151238
2-ethoxy-3-ethyl-2-hexylbutanedioic acid
CID 87447391
2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
CID 139619790
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
3,3-diethoxy-2-methylidenepentanoic acid
CID 87403796
prop-2-enoic acid;1,1,1-triethoxypropane
CID 174826427
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-3-methylbutanoic acid?
The IUPAC name of 2-ethoxy-2-ethyl-3-methylbutanoic acid (CID 116768994) is 2-ethoxy-2-ethyl-3-methylbutanoic acid.
What is the SMILES notation for 2-ethoxy-2-ethyl-3-methylbutanoic acid?
The canonical SMILES for 2-ethoxy-2-ethyl-3-methylbutanoic acid is CCOC(CC)(C(=O)O)C(C)C.
What is the InChIKey of 2-ethoxy-2-ethyl-3-methylbutanoic acid?
The InChIKey is VFTCGSILWOIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-9(7(3)4,8(10)11)12-6-2/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-ethoxy-2-ethyl-3-methylbutanoic acid?
2-ethoxy-2-ethyl-3-methylbutanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-3-methylbutanoic acid is sourced from PubChem (CID 116768994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).