4-methoxy-2,2,3-trimethylbutanoic acid

C8H16O3 — CID 79426196

IUPAC4-methoxy-2,2,3-trimethylbutanoic acid
SMILESCOCC(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-6(5-11-4)8(2,3)7(9)10/h6H,5H2,1-4H3,(H,9,10)
InChIKeyIZKDIFYLEAXEDF-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds4

About 4-methoxy-2,2,3-trimethylbutanoic acid

4-methoxy-2,2,3-trimethylbutanoic acid (PubChem CID 79426196) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-methoxy-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-2,2,3-trimethylbutanoic acid
PubChem CID79426196
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-methoxy-2,2,3-trimethylbutanoic acid
SMILESCOCC(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-6(5-11-4)8(2,3)7(9)10/h6H,5H2,1-4H3,(H,9,10)
InChIKeyIZKDIFYLEAXEDF-UHFFFAOYSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
CID 79426238
5-(methoxymethyl)-2,2,3-trimethylundecanoic acid
CID 139489940
1,3,3-trimethoxy-2-methylbutane
CID 140983867
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
azane;2,2,3-trimethylhexanedioic acid
CID 175059163
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148
2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
CID 79304211
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,3-trimethylbutanoic acid?
The IUPAC name of 4-methoxy-2,2,3-trimethylbutanoic acid (CID 79426196) is 4-methoxy-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 4-methoxy-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 4-methoxy-2,2,3-trimethylbutanoic acid is COCC(C)C(C)(C)C(=O)O.
What is the InChIKey of 4-methoxy-2,2,3-trimethylbutanoic acid?
The InChIKey is IZKDIFYLEAXEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(5-11-4)8(2,3)7(9)10/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of 4-methoxy-2,2,3-trimethylbutanoic acid?
4-methoxy-2,2,3-trimethylbutanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 79426196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).