2-ethyl-2,3,3-trimethylbutanoic acid

C9H18O2 — CID 546228

IUPAC2-ethyl-2,3,3-trimethylbutanoic acid
SMILESCCC(C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-9(5,7(10)11)8(2,3)4/h6H2,1-5H3,(H,10,11)
InChIKeySXJBHJCKWQIWHA-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.53
Rot. Bonds2

About 2-ethyl-2,3,3-trimethylbutanoic acid

2-ethyl-2,3,3-trimethylbutanoic acid (PubChem CID 546228) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethylbutanoic acid
PubChem CID546228
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-ethyl-2,3,3-trimethylbutanoic acid
SMILESCCC(C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-9(5,7(10)11)8(2,3)4/h6H2,1-5H3,(H,10,11)
InChIKeySXJBHJCKWQIWHA-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethylbutanoic acid?
The IUPAC name of 2-ethyl-2,3,3-trimethylbutanoic acid (CID 546228) is 2-ethyl-2,3,3-trimethylbutanoic acid.
What is the SMILES notation for 2-ethyl-2,3,3-trimethylbutanoic acid?
The canonical SMILES for 2-ethyl-2,3,3-trimethylbutanoic acid is CCC(C)(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-ethyl-2,3,3-trimethylbutanoic acid?
The InChIKey is SXJBHJCKWQIWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-9(5,7(10)11)8(2,3)4/h6H2,1-5H3,(H,10,11).
What are the key properties of 2-ethyl-2,3,3-trimethylbutanoic acid?
2-ethyl-2,3,3-trimethylbutanoic acid has a molecular weight of 158.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethylbutanoic acid is sourced from PubChem (CID 546228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).