3-cyclopropyl-3-methylbutanoic acid

C8H14O2 — CID 55303305

IUPAC3-cyclopropyl-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)C1CC1
InChIInChI=1S/C8H14O2/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyBYKZSXIJPNCMRD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds3

About 3-cyclopropyl-3-methylbutanoic acid

3-cyclopropyl-3-methylbutanoic acid (PubChem CID 55303305) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-cyclopropyl-3-methylbutanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-methylbutanoic acid
PubChem CID55303305
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-cyclopropyl-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)C1CC1
InChIInChI=1S/C8H14O2/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyBYKZSXIJPNCMRD-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methylbutanoic acid?
The IUPAC name of 3-cyclopropyl-3-methylbutanoic acid (CID 55303305) is 3-cyclopropyl-3-methylbutanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-methylbutanoic acid?
The canonical SMILES for 3-cyclopropyl-3-methylbutanoic acid is CC(C)(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-methylbutanoic acid?
The InChIKey is BYKZSXIJPNCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-cyclopropyl-3-methylbutanoic acid?
3-cyclopropyl-3-methylbutanoic acid has a molecular weight of 142.20 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 3-cyclopropyl-3-methylbutanoic acid is sourced from PubChem (CID 55303305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).