2-cyclopropylideneethyl ethyl carbonate

C8H12O3 — CID 14809850

IUPAC2-cyclopropylideneethyl ethyl carbonate
SMILESCCOC(=O)OCC=C1CC1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)11-6-5-7-3-4-7/h5H,2-4,6H2,1H3
InChIKeyITKFASIDMMVZBY-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.88
Rot. Bonds3

About 2-cyclopropylideneethyl ethyl carbonate

2-cyclopropylideneethyl ethyl carbonate (PubChem CID 14809850) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-cyclopropylideneethyl ethyl carbonate.

Molecular Properties

Compound Name2-cyclopropylideneethyl ethyl carbonate
PubChem CID14809850
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-cyclopropylideneethyl ethyl carbonate
SMILESCCOC(=O)OCC=C1CC1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)11-6-5-7-3-4-7/h5H,2-4,6H2,1H3
InChIKeyITKFASIDMMVZBY-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylideneethyl ethyl carbonate?
The IUPAC name of 2-cyclopropylideneethyl ethyl carbonate (CID 14809850) is 2-cyclopropylideneethyl ethyl carbonate.
What is the SMILES notation for 2-cyclopropylideneethyl ethyl carbonate?
The canonical SMILES for 2-cyclopropylideneethyl ethyl carbonate is CCOC(=O)OCC=C1CC1.
What is the InChIKey of 2-cyclopropylideneethyl ethyl carbonate?
The InChIKey is ITKFASIDMMVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-10-8(9)11-6-5-7-3-4-7/h5H,2-4,6H2,1H3.
What are the key properties of 2-cyclopropylideneethyl ethyl carbonate?
2-cyclopropylideneethyl ethyl carbonate has a molecular weight of 156.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylideneethyl ethyl carbonate is sourced from PubChem (CID 14809850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).