[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

C15H20O4 — CID 18761073

IUPAC[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCC(=O)OC(CC1CC2C=CC1C2)C1CCOC1=O
InChIInChI=1S/C15H20O4/c1-9(16)19-14(13-4-5-18-15(13)17)8-12-7-10-2-3-11(12)6-10/h2-3,10-14H,4-8H2,1H3
InChIKeyCAPKJLSPDBFFHX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (PubChem CID 18761073) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
PubChem CID18761073
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCC(=O)OC(CC1CC2C=CC1C2)C1CCOC1=O
InChIInChI=1S/C15H20O4/c1-9(16)19-14(13-4-5-18-15(13)17)8-12-7-10-2-3-11(12)6-10/h2-3,10-14H,4-8H2,1H3
InChIKeyCAPKJLSPDBFFHX-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The IUPAC name of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (CID 18761073) is [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The canonical SMILES for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is CC(=O)OC(CC1CC2C=CC1C2)C1CCOC1=O.
What is the InChIKey of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The InChIKey is CAPKJLSPDBFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(16)19-14(13-4-5-18-15(13)17)8-12-7-10-2-3-11(12)6-10/h2-3,10-14H,4-8H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
[2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate has a molecular weight of 264.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]hept-5-enyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is sourced from PubChem (CID 18761073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).