3-propan-2-ylcyclobutane-1-carboxylic acid

C8H14O2 — CID 25923

IUPAC3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)C1
InChIInChI=1S/C8H14O2/c1-5(2)6-3-7(4-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeySIDXWUAGUXXTNA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.75
Rot. Bonds2

About 3-propan-2-ylcyclobutane-1-carboxylic acid

3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 25923) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID25923
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)C1
InChIInChI=1S/C8H14O2/c1-5(2)6-3-7(4-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeySIDXWUAGUXXTNA-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-propan-2-ylcyclobutane-1-carboxylic acid (CID 25923) is 3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-propan-2-ylcyclobutane-1-carboxylic acid is CC(C)C1CC(C(=O)O)C1.
What is the InChIKey of 3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is SIDXWUAGUXXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)6-3-7(4-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-ylcyclobutane-1-carboxylic acid?
3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 25923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).