2-ethyl-4-methoxy-2-methylbutanoic acid

C8H16O3 — CID 62740257

IUPAC2-ethyl-4-methoxy-2-methylbutanoic acid
SMILESCCC(C)(CCOC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(2,7(9)10)5-6-11-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyCRWOYHSZLJFCGH-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds5

About 2-ethyl-4-methoxy-2-methylbutanoic acid

2-ethyl-4-methoxy-2-methylbutanoic acid (PubChem CID 62740257) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-4-methoxy-2-methylbutanoic acid
PubChem CID62740257
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethyl-4-methoxy-2-methylbutanoic acid
SMILESCCC(C)(CCOC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(2,7(9)10)5-6-11-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyCRWOYHSZLJFCGH-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-2-methylbutanoic acid?
The IUPAC name of 2-ethyl-4-methoxy-2-methylbutanoic acid (CID 62740257) is 2-ethyl-4-methoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-ethyl-4-methoxy-2-methylbutanoic acid?
The canonical SMILES for 2-ethyl-4-methoxy-2-methylbutanoic acid is CCC(C)(CCOC)C(=O)O.
What is the InChIKey of 2-ethyl-4-methoxy-2-methylbutanoic acid?
The InChIKey is CRWOYHSZLJFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(2,7(9)10)5-6-11-3/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-ethyl-4-methoxy-2-methylbutanoic acid?
2-ethyl-4-methoxy-2-methylbutanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-2-methylbutanoic acid is sourced from PubChem (CID 62740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).