2-methylidene-6-oxabicyclo[3.1.0]hexane

C6H8O — CID 57234721

IUPAC2-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1CCC2OC12
InChIInChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5-6H,1-3H2
InChIKeyIJXHWDSAAGOFNP-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.10
Rot. Bonds

About 2-methylidene-6-oxabicyclo[3.1.0]hexane

2-methylidene-6-oxabicyclo[3.1.0]hexane (PubChem CID 57234721) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methylidene-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-methylidene-6-oxabicyclo[3.1.0]hexane
PubChem CID57234721
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-methylidene-6-oxabicyclo[3.1.0]hexane
SMILESC=C1CCC2OC12
InChIInChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5-6H,1-3H2
InChIKeyIJXHWDSAAGOFNP-UHFFFAOYSA-N
XLogP1.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylidene-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 2-methylidene-6-oxabicyclo[3.1.0]hexane (CID 57234721) is 2-methylidene-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-methylidene-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 2-methylidene-6-oxabicyclo[3.1.0]hexane is C=C1CCC2OC12.
What is the InChIKey of 2-methylidene-6-oxabicyclo[3.1.0]hexane?
The InChIKey is IJXHWDSAAGOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5-6H,1-3H2.
What are the key properties of 2-methylidene-6-oxabicyclo[3.1.0]hexane?
2-methylidene-6-oxabicyclo[3.1.0]hexane has a molecular weight of 96.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 57234721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).