2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane

C13H20O2 — CID 22336769

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane
SMILESC1=CC2CC1CC2COC1CCCCO1
InChIInChI=1S/C13H20O2/c1-2-6-14-13(3-1)15-9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2
InChIKeyLTZJXUOOUWWPLL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane

2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane (PubChem CID 22336769) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane
PubChem CID22336769
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane
SMILESC1=CC2CC1CC2COC1CCCCO1
InChIInChI=1S/C13H20O2/c1-2-6-14-13(3-1)15-9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2
InChIKeyLTZJXUOOUWWPLL-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
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-enylmethoxy)oxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane (CID 22336769) is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane is C1=CC2CC1CC2COC1CCCCO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane?
The InChIKey is LTZJXUOOUWWPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-6-14-13(3-1)15-9-12-8-10-4-5-11(12)7-10/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane?
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxane has a molecular weight of 208.30 g/mol, XLogP of 2.74, 3 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-enylmethoxy)oxane is sourced from PubChem (CID 22336769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).