2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane

C11H16O2 — CID 22336684

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane
SMILESC1=CC2CC1CC2OC1CCCO1
InChIInChI=1S/C11H16O2/c1-2-11(12-5-1)13-10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2
InChIKeyDGFVCVRIIYTEDP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane

2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane (PubChem CID 22336684) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane
PubChem CID22336684
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane
SMILESC1=CC2CC1CC2OC1CCCO1
InChIInChI=1S/C11H16O2/c1-2-11(12-5-1)13-10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2
InChIKeyDGFVCVRIIYTEDP-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.10
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-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane (CID 22336684) is 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane is C1=CC2CC1CC2OC1CCCO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane?
The InChIKey is DGFVCVRIIYTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-11(12-5-1)13-10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane?
2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane has a molecular weight of 180.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)oxolane is sourced from PubChem (CID 22336684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).