cyclobutylidenemethanone;methyl formate

C7H10O3 — CID 161332230

IUPACcyclobutylidenemethanone;methyl formate
SMILESCOC=O.O=C=C1CCC1
InChIInChI=1S/C5H6O.C2H4O2/c6-4-5-2-1-3-5;1-4-2-3/h1-3H2;2H,1H3
InChIKeyVLOMXZYSONYZIH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.72
Rot. Bonds1

About cyclobutylidenemethanone;methyl formate

cyclobutylidenemethanone;methyl formate (PubChem CID 161332230) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is cyclobutylidenemethanone;methyl formate.

Molecular Properties

Compound Namecyclobutylidenemethanone;methyl formate
PubChem CID161332230
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecyclobutylidenemethanone;methyl formate
SMILESCOC=O.O=C=C1CCC1
InChIInChI=1S/C5H6O.C2H4O2/c6-4-5-2-1-3-5;1-4-2-3/h1-3H2;2H,1H3
InChIKeyVLOMXZYSONYZIH-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutylidenemethanone;methyl formate?
The IUPAC name of cyclobutylidenemethanone;methyl formate (CID 161332230) is cyclobutylidenemethanone;methyl formate.
What is the SMILES notation for cyclobutylidenemethanone;methyl formate?
The canonical SMILES for cyclobutylidenemethanone;methyl formate is COC=O.O=C=C1CCC1.
What is the InChIKey of cyclobutylidenemethanone;methyl formate?
The InChIKey is VLOMXZYSONYZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C2H4O2/c6-4-5-2-1-3-5;1-4-2-3/h1-3H2;2H,1H3.
What are the key properties of cyclobutylidenemethanone;methyl formate?
cyclobutylidenemethanone;methyl formate has a molecular weight of 142.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylidenemethanone;methyl formate is sourced from PubChem (CID 161332230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).