5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one

C13H18O2 — CID 22709219

IUPAC5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one
SMILESO=C1CCC(CCC2CC3C=CC2C3)O1
InChIInChI=1S/C13H18O2/c14-13-6-5-12(15-13)4-3-11-8-9-1-2-10(11)7-9/h1-2,9-12H,3-8H2
InChIKeyZWIWPNWINRDVOW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.68
Rot. Bonds3

About 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one

5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one (PubChem CID 22709219) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one
PubChem CID22709219
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one
SMILESO=C1CCC(CCC2CC3C=CC2C3)O1
InChIInChI=1S/C13H18O2/c14-13-6-5-12(15-13)4-3-11-8-9-1-2-10(11)7-9/h1-2,9-12H,3-8H2
InChIKeyZWIWPNWINRDVOW-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.68
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 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one?
The IUPAC name of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one (CID 22709219) is 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one.
What is the SMILES notation for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one?
The canonical SMILES for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one is O=C1CCC(CCC2CC3C=CC2C3)O1.
What is the InChIKey of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one?
The InChIKey is ZWIWPNWINRDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13-6-5-12(15-13)4-3-11-8-9-1-2-10(11)7-9/h1-2,9-12H,3-8H2.
What are the key properties of 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one?
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolan-2-one is sourced from PubChem (CID 22709219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).