7-oxabicyclo[4.1.0]heptane;oxirane

C8H14O2 — CID 131984165

IUPAC7-oxabicyclo[4.1.0]heptane;oxirane
SMILESC1CCC2OC2C1.C1CO1
InChIInChI=1S/C6H10O.C2H4O/c1-2-4-6-5(3-1)7-6;1-2-3-1/h5-6H,1-4H2;1-2H2
InChIKeyJDOADFHRSNEOPC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds

About 7-oxabicyclo[4.1.0]heptane;oxirane

7-oxabicyclo[4.1.0]heptane;oxirane (PubChem CID 131984165) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane;oxirane.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptane;oxirane
PubChem CID131984165
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name7-oxabicyclo[4.1.0]heptane;oxirane
SMILESC1CCC2OC2C1.C1CO1
InChIInChI=1S/C6H10O.C2H4O/c1-2-4-6-5(3-1)7-6;1-2-3-1/h5-6H,1-4H2;1-2H2
InChIKeyJDOADFHRSNEOPC-UHFFFAOYSA-N
XLogP1.34
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptane;oxirane?
The IUPAC name of 7-oxabicyclo[4.1.0]heptane;oxirane (CID 131984165) is 7-oxabicyclo[4.1.0]heptane;oxirane.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptane;oxirane?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptane;oxirane is C1CCC2OC2C1.C1CO1.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptane;oxirane?
The InChIKey is JDOADFHRSNEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H4O/c1-2-4-6-5(3-1)7-6;1-2-3-1/h5-6H,1-4H2;1-2H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptane;oxirane?
7-oxabicyclo[4.1.0]heptane;oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptane;oxirane is sourced from PubChem (CID 131984165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).