3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane

C11H16O2 — CID 58838674

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane
SMILESC1=CC2CC1CC2COC1COC1
InChIInChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-13-11-6-12-7-11/h1-2,8-11H,3-7H2
InChIKeyPJDDMBBJRIHSBY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane

3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane (PubChem CID 58838674) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane
PubChem CID58838674
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane
SMILESC1=CC2CC1CC2COC1COC1
InChIInChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-13-11-6-12-7-11/h1-2,8-11H,3-7H2
InChIKeyPJDDMBBJRIHSBY-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
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 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane (CID 58838674) is 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane is C1=CC2CC1CC2COC1COC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane?
The InChIKey is PJDDMBBJRIHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-13-11-6-12-7-11/h1-2,8-11H,3-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane?
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane has a molecular weight of 180.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxetane is sourced from PubChem (CID 58838674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).