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

C10H14O2 — CID 71336937

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane
SMILESC1=CC2CC1CC2COC1CO1
InChIInChI=1S/C10H14O2/c1-2-8-3-7(1)4-9(8)5-11-10-6-12-10/h1-2,7-10H,3-6H2
InChIKeyWJXSNJWIZZUVJS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.57
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane (PubChem CID 71336937) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane
PubChem CID71336937
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane
SMILESC1=CC2CC1CC2COC1CO1
InChIInChI=1S/C10H14O2/c1-2-8-3-7(1)4-9(8)5-11-10-6-12-10/h1-2,7-10H,3-6H2
InChIKeyWJXSNJWIZZUVJS-UHFFFAOYSA-N
XLogP1.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.57
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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Related Compounds

3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
CID 23555976
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxirane
CID 59717873
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
tris(2-bicyclo[2.2.1]hept-5-enylmethyl) phosphate
CID 70616526
5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 154203561
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
CID 16687358
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298
5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
CID 59717872
2-bicyclo[2.2.1]hept-5-enylmethoxy(diethyl)silane
CID 123661462
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane (CID 71336937) is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane is C1=CC2CC1CC2COC1CO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane?
The InChIKey is WJXSNJWIZZUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-3-7(1)4-9(8)5-11-10-6-12-10/h1-2,7-10H,3-6H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane?
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxirane has a molecular weight of 166.22 g/mol, XLogP of 1.57, 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)oxirane is sourced from PubChem (CID 71336937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).