2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane

C11H16O2 — CID 91276467

IUPAC2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane
SMILESC1=C2CC(C1)C(COCC1CO1)C2
InChIInChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11/h1,9-11H,2-7H2
InChIKeyOIKPUDYUPROYDD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane

2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane (PubChem CID 91276467) 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-4-enylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane
PubChem CID91276467
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane
SMILESC1=C2CC(C1)C(COCC1CO1)C2
InChIInChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11/h1,9-11H,2-7H2
InChIKeyOIKPUDYUPROYDD-UHFFFAOYSA-N
XLogP1.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane (CID 91276467) is 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane is C1=C2CC(C1)C(COCC1CO1)C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane?
The InChIKey is OIKPUDYUPROYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11/h1,9-11H,2-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane?
2-(2-bicyclo[2.2.1]hept-4-enylmethoxymethyl)oxirane has a molecular weight of 180.25 g/mol, XLogP of 1.76, 4 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-4-enylmethoxymethyl)oxirane is sourced from PubChem (CID 91276467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).