2-oxoethyl cyclobutanecarboxylate

C7H10O3 — CID 155591676

IUPAC2-oxoethyl cyclobutanecarboxylate
SMILESO=CCOC(=O)C1CCC1
InChIInChI=1S/C7H10O3/c8-4-5-10-7(9)6-2-1-3-6/h4,6H,1-3,5H2
InChIKeyVJSSEDFJTDUIKJ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds3

About 2-oxoethyl cyclobutanecarboxylate

2-oxoethyl cyclobutanecarboxylate (PubChem CID 155591676) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-oxoethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-oxoethyl cyclobutanecarboxylate
PubChem CID155591676
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-oxoethyl cyclobutanecarboxylate
SMILESO=CCOC(=O)C1CCC1
InChIInChI=1S/C7H10O3/c8-4-5-10-7(9)6-2-1-3-6/h4,6H,1-3,5H2
InChIKeyVJSSEDFJTDUIKJ-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl cyclododecanecarboxylate
CID 139624721
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
hydroxymethyl cyclobutanecarboxylate
CID 137371714
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306
2-fluoroethyl cyclobutanecarboxylate
CID 45090053
[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate
CID 137492389
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
3,7-dimethylocta-2,6-dienyl cyclohexanecarboxylate
CID 54106608

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl cyclobutanecarboxylate?
The IUPAC name of 2-oxoethyl cyclobutanecarboxylate (CID 155591676) is 2-oxoethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-oxoethyl cyclobutanecarboxylate?
The canonical SMILES for 2-oxoethyl cyclobutanecarboxylate is O=CCOC(=O)C1CCC1.
What is the InChIKey of 2-oxoethyl cyclobutanecarboxylate?
The InChIKey is VJSSEDFJTDUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-5-10-7(9)6-2-1-3-6/h4,6H,1-3,5H2.
What are the key properties of 2-oxoethyl cyclobutanecarboxylate?
2-oxoethyl cyclobutanecarboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl cyclobutanecarboxylate is sourced from PubChem (CID 155591676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).