2-ethyl-2-methylbutanoic acid

C7H14O2 — CID 29846

IUPAC2-ethyl-2-methylbutanoic acid
SMILESCCC(C)(CC)C(=O)O
InChIInChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyLHJPKLWGGMAUAN-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds3

About 2-ethyl-2-methylbutanoic acid

2-ethyl-2-methylbutanoic acid (PubChem CID 29846) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethyl-2-methylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methylbutanoic acid
PubChem CID29846
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethyl-2-methylbutanoic acid
SMILESCCC(C)(CC)C(=O)O
InChIInChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyLHJPKLWGGMAUAN-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylbutanoic acid?
The IUPAC name of 2-ethyl-2-methylbutanoic acid (CID 29846) is 2-ethyl-2-methylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-methylbutanoic acid?
The canonical SMILES for 2-ethyl-2-methylbutanoic acid is CCC(C)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-methylbutanoic acid?
The InChIKey is LHJPKLWGGMAUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-ethyl-2-methylbutanoic acid?
2-ethyl-2-methylbutanoic acid has a molecular weight of 130.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylbutanoic acid is sourced from PubChem (CID 29846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).