2-(1-methyl-3-oxocyclobutyl)ethyl acetate

C9H14O3 — CID 71337951

IUPAC2-(1-methyl-3-oxocyclobutyl)ethyl acetate
SMILESCC(=O)OCCC1(C)CC(=O)C1
InChIInChI=1S/C9H14O3/c1-7(10)12-4-3-9(2)5-8(11)6-9/h3-6H2,1-2H3
InChIKeyFWVPGKJKQPFPLR-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-methyl-3-oxocyclobutyl)ethyl acetate

2-(1-methyl-3-oxocyclobutyl)ethyl acetate (PubChem CID 71337951) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(1-methyl-3-oxocyclobutyl)ethyl acetate.

Molecular Properties

Compound Name2-(1-methyl-3-oxocyclobutyl)ethyl acetate
PubChem CID71337951
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(1-methyl-3-oxocyclobutyl)ethyl acetate
SMILESCC(=O)OCCC1(C)CC(=O)C1
InChIInChI=1S/C9H14O3/c1-7(10)12-4-3-9(2)5-8(11)6-9/h3-6H2,1-2H3
InChIKeyFWVPGKJKQPFPLR-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-3-oxocyclobutyl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-oxocyclobutyl)ethyl acetate?
The IUPAC name of 2-(1-methyl-3-oxocyclobutyl)ethyl acetate (CID 71337951) is 2-(1-methyl-3-oxocyclobutyl)ethyl acetate.
What is the SMILES notation for 2-(1-methyl-3-oxocyclobutyl)ethyl acetate?
The canonical SMILES for 2-(1-methyl-3-oxocyclobutyl)ethyl acetate is CC(=O)OCCC1(C)CC(=O)C1.
What is the InChIKey of 2-(1-methyl-3-oxocyclobutyl)ethyl acetate?
The InChIKey is FWVPGKJKQPFPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(10)12-4-3-9(2)5-8(11)6-9/h3-6H2,1-2H3.
What are the key properties of 2-(1-methyl-3-oxocyclobutyl)ethyl acetate?
2-(1-methyl-3-oxocyclobutyl)ethyl acetate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxocyclobutyl)ethyl acetate is sourced from PubChem (CID 71337951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).