2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane

C11H16O2 — CID 69416394

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane
SMILESC1=CC2(OC3CCCO3)CCC1C2
InChIInChI=1S/C11H16O2/c1-2-10(12-7-1)13-11-5-3-9(8-11)4-6-11/h3,5,9-10H,1-2,4,6-8H2
InChIKeyACCCLSVEVNJRLE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.25
Rot. Bonds2

About 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane

2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane (PubChem CID 69416394) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane
PubChem CID69416394
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane
SMILESC1=CC2(OC3CCCO3)CCC1C2
InChIInChI=1S/C11H16O2/c1-2-10(12-7-1)13-11-5-3-9(8-11)4-6-11/h3,5,9-10H,1-2,4,6-8H2
InChIKeyACCCLSVEVNJRLE-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane (CID 69416394) is 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane is C1=CC2(OC3CCCO3)CCC1C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane?
The InChIKey is ACCCLSVEVNJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-10(12-7-1)13-11-5-3-9(8-11)4-6-11/h3,5,9-10H,1-2,4,6-8H2.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane?
2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane has a molecular weight of 180.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyloxy)oxolane is sourced from PubChem (CID 69416394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).