5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene

C8H10O — CID 66819158

IUPAC5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC=C1CC2C=CC1O2
InChIInChI=1S/C8H10O/c1-2-6-5-7-3-4-8(6)9-7/h2-4,7-8H,5H2,1H3
InChIKeyFFGMUZPMHUUDIX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene

5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 66819158) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID66819158
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC=C1CC2C=CC1O2
InChIInChI=1S/C8H10O/c1-2-6-5-7-3-4-8(6)9-7/h2-4,7-8H,5H2,1H3
InChIKeyFFGMUZPMHUUDIX-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene (CID 66819158) is 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene is CC=C1CC2C=CC1O2.
What is the InChIKey of 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is FFGMUZPMHUUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-6-5-7-3-4-8(6)9-7/h2-4,7-8H,5H2,1H3.
What are the key properties of 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene?
5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 66819158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).