2-cyclobutylideneethyl acetate

C8H12O2 — CID 59715017

IUPAC2-cyclobutylideneethyl acetate
SMILESCC(=O)OCC=C1CCC1
InChIInChI=1S/C8H12O2/c1-7(9)10-6-5-8-3-2-4-8/h5H,2-4,6H2,1H3
InChIKeyDSZRSLPECMPTJZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About 2-cyclobutylideneethyl acetate

2-cyclobutylideneethyl acetate (PubChem CID 59715017) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-cyclobutylideneethyl acetate.

Molecular Properties

Compound Name2-cyclobutylideneethyl acetate
PubChem CID59715017
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-cyclobutylideneethyl acetate
SMILESCC(=O)OCC=C1CCC1
InChIInChI=1S/C8H12O2/c1-7(9)10-6-5-8-3-2-4-8/h5H,2-4,6H2,1H3
InChIKeyDSZRSLPECMPTJZ-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclobutylideneethyl acetate?
The IUPAC name of 2-cyclobutylideneethyl acetate (CID 59715017) is 2-cyclobutylideneethyl acetate.
What is the SMILES notation for 2-cyclobutylideneethyl acetate?
The canonical SMILES for 2-cyclobutylideneethyl acetate is CC(=O)OCC=C1CCC1.
What is the InChIKey of 2-cyclobutylideneethyl acetate?
The InChIKey is DSZRSLPECMPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)10-6-5-8-3-2-4-8/h5H,2-4,6H2,1H3.
What are the key properties of 2-cyclobutylideneethyl acetate?
2-cyclobutylideneethyl acetate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylideneethyl acetate is sourced from PubChem (CID 59715017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).