2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene

C8H12O — CID 88809915

IUPAC2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESCCC1=C2OC2CCC1
InChIInChI=1S/C8H12O/c1-2-6-4-3-5-7-8(6)9-7/h7H,2-5H2,1H3
InChIKeyUQRGOMAPNYTVKP-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.23
Rot. Bonds1

About 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene

2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene (PubChem CID 88809915) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene
PubChem CID88809915
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESCCC1=C2OC2CCC1
InChIInChI=1S/C8H12O/c1-2-6-4-3-5-7-8(6)9-7/h7H,2-5H2,1H3
InChIKeyUQRGOMAPNYTVKP-UHFFFAOYSA-N
XLogP2.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.23
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]hept-1-ene?
The IUPAC name of 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene (CID 88809915) is 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene is CCC1=C2OC2CCC1.
What is the InChIKey of 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene?
The InChIKey is UQRGOMAPNYTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-6-4-3-5-7-8(6)9-7/h7H,2-5H2,1H3.
What are the key properties of 2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene?
2-ethyl-7-oxabicyclo[4.1.0]hept-1-ene has a molecular weight of 124.18 g/mol, XLogP of 2.23, 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]hept-1-ene is sourced from PubChem (CID 88809915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).