3-cyclobutyl-2,2-dimethylpropanoic acid

C9H16O2 — CID 20517130

IUPAC3-cyclobutyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CC1CCC1)C(=O)O
InChIInChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMWJVRKDEBVFQLK-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds3

About 3-cyclobutyl-2,2-dimethylpropanoic acid

3-cyclobutyl-2,2-dimethylpropanoic acid (PubChem CID 20517130) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-cyclobutyl-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-2,2-dimethylpropanoic acid
PubChem CID20517130
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-cyclobutyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CC1CCC1)C(=O)O
InChIInChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMWJVRKDEBVFQLK-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2,2-dimethylpropanoic acid?
The IUPAC name of 3-cyclobutyl-2,2-dimethylpropanoic acid (CID 20517130) is 3-cyclobutyl-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-cyclobutyl-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-cyclobutyl-2,2-dimethylpropanoic acid is CC(C)(CC1CCC1)C(=O)O.
What is the InChIKey of 3-cyclobutyl-2,2-dimethylpropanoic acid?
The InChIKey is MWJVRKDEBVFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-cyclobutyl-2,2-dimethylpropanoic acid?
3-cyclobutyl-2,2-dimethylpropanoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2,2-dimethylpropanoic acid is sourced from PubChem (CID 20517130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).