(2-oxocyclobutyl) formate

C5H6O3 — CID 173437285

IUPAC(2-oxocyclobutyl) formate
SMILESO=COC1CCC1=O
InChIInChI=1S/C5H6O3/c6-3-8-5-2-1-4(5)7/h3,5H,1-2H2
InChIKeyCFCDKWMTAPPHCM-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.11
Rot. Bonds2

About (2-oxocyclobutyl) formate

(2-oxocyclobutyl) formate (PubChem CID 173437285) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (2-oxocyclobutyl) formate.

Molecular Properties

Compound Name(2-oxocyclobutyl) formate
PubChem CID173437285
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(2-oxocyclobutyl) formate
SMILESO=COC1CCC1=O
InChIInChI=1S/C5H6O3/c6-3-8-5-2-1-4(5)7/h3,5H,1-2H2
InChIKeyCFCDKWMTAPPHCM-UHFFFAOYSA-N
XLogP-0.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclobutyl) formate?
The IUPAC name of (2-oxocyclobutyl) formate (CID 173437285) is (2-oxocyclobutyl) formate.
What is the SMILES notation for (2-oxocyclobutyl) formate?
The canonical SMILES for (2-oxocyclobutyl) formate is O=COC1CCC1=O.
What is the InChIKey of (2-oxocyclobutyl) formate?
The InChIKey is CFCDKWMTAPPHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-8-5-2-1-4(5)7/h3,5H,1-2H2.
What are the key properties of (2-oxocyclobutyl) formate?
(2-oxocyclobutyl) formate has a molecular weight of 114.10 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclobutyl) formate is sourced from PubChem (CID 173437285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).