3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane

C13H20O — CID 21045092

IUPAC3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
SMILESCC(C1CCOC1)C1CC2C=CC1C2
InChIInChI=1S/C13H20O/c1-9(12-4-5-14-8-12)13-7-10-2-3-11(13)6-10/h2-3,9-13H,4-8H2,1H3
InChIKeyXKACAJWUNVGMRG-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.87
Rot. Bonds2

About 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane (PubChem CID 21045092) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
PubChem CID21045092
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
SMILESCC(C1CCOC1)C1CC2C=CC1C2
InChIInChI=1S/C13H20O/c1-9(12-4-5-14-8-12)13-7-10-2-3-11(13)6-10/h2-3,9-13H,4-8H2,1H3
InChIKeyXKACAJWUNVGMRG-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane (CID 21045092) is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane is CC(C1CCOC1)C1CC2C=CC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The InChIKey is XKACAJWUNVGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(12-4-5-14-8-12)13-7-10-2-3-11(13)6-10/h2-3,9-13H,4-8H2,1H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane has a molecular weight of 192.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane is sourced from PubChem (CID 21045092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).