3-ethyl-1-methylcyclobutane-1-carboxylic acid

C8H14O2 — CID 23344521

IUPAC3-ethyl-1-methylcyclobutane-1-carboxylic acid
SMILESCCC1CC(C)(C(=O)O)C1
InChIInChI=1S/C8H14O2/c1-3-6-4-8(2,5-6)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKIQYCHOEBPPDDR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds2

About 3-ethyl-1-methylcyclobutane-1-carboxylic acid

3-ethyl-1-methylcyclobutane-1-carboxylic acid (PubChem CID 23344521) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyl-1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methylcyclobutane-1-carboxylic acid
PubChem CID23344521
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethyl-1-methylcyclobutane-1-carboxylic acid
SMILESCCC1CC(C)(C(=O)O)C1
InChIInChI=1S/C8H14O2/c1-3-6-4-8(2,5-6)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKIQYCHOEBPPDDR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-methylcyclobutane-1-carboxylic acid (CID 23344521) is 3-ethyl-1-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methylcyclobutane-1-carboxylic acid is CCC1CC(C)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-methylcyclobutane-1-carboxylic acid?
The InChIKey is KIQYCHOEBPPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-6-4-8(2,5-6)7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-ethyl-1-methylcyclobutane-1-carboxylic acid?
3-ethyl-1-methylcyclobutane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 23344521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).