2-ethyl-4-methoxy-2,3-dimethylbutanoic acid

C9H18O3 — CID 79426238

IUPAC2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
SMILESCCC(C)(C(=O)O)C(C)COC
InChIInChI=1S/C9H18O3/c1-5-9(3,8(10)11)7(2)6-12-4/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyFSVRNLOBBJTLKT-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.77
Rot. Bonds5

About 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid

2-ethyl-4-methoxy-2,3-dimethylbutanoic acid (PubChem CID 79426238) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
PubChem CID79426238
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
SMILESCCC(C)(C(=O)O)C(C)COC
InChIInChI=1S/C9H18O3/c1-5-9(3,8(10)11)7(2)6-12-4/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyFSVRNLOBBJTLKT-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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-2,3-dimethylbutanoic acid?
The IUPAC name of 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid (CID 79426238) is 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid is CCC(C)(C(=O)O)C(C)COC.
What is the InChIKey of 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid?
The InChIKey is FSVRNLOBBJTLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-9(3,8(10)11)7(2)6-12-4/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-ethyl-4-methoxy-2,3-dimethylbutanoic acid?
2-ethyl-4-methoxy-2,3-dimethylbutanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.77, 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-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79426238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).