2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H10O — CID 139242830

IUPAC2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC1=CC=CC2OC12
InChIInChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h3-5,7-8H,2H2,1H3
InChIKeyCEUZGYDKMQDIPW-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds1

About 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 139242830) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID139242830
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC1=CC=CC2OC12
InChIInChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h3-5,7-8H,2H2,1H3
InChIKeyCEUZGYDKMQDIPW-UHFFFAOYSA-N
XLogP1.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 139242830) is 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CCC1=CC=CC2OC12.
What is the InChIKey of 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is CEUZGYDKMQDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h3-5,7-8H,2H2,1H3.
What are the key properties of 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 139242830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).