5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene

C8H8O — CID 141234814

IUPAC5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene
SMILESCC=C1C=CC=C2OC12
InChIInChI=1S/C8H8O/c1-2-6-4-3-5-7-8(6)9-7/h2-5,8H,1H3
InChIKeyFSAWINXXRZYMFD-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.79
Rot. Bonds

About 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene

5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene (PubChem CID 141234814) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene.

Molecular Properties

Compound Name5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene
PubChem CID141234814
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene
SMILESCC=C1C=CC=C2OC12
InChIInChI=1S/C8H8O/c1-2-6-4-3-5-7-8(6)9-7/h2-5,8H,1H3
InChIKeyFSAWINXXRZYMFD-UHFFFAOYSA-N
XLogP1.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.79
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 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The IUPAC name of 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene (CID 141234814) is 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene.
What is the SMILES notation for 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The canonical SMILES for 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene is CC=C1C=CC=C2OC12.
What is the InChIKey of 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene?
The InChIKey is FSAWINXXRZYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-6-4-3-5-7-8(6)9-7/h2-5,8H,1H3.
What are the key properties of 5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene?
5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene has a molecular weight of 120.15 g/mol, XLogP of 1.79, 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[4.1.0]hepta-1,3-diene is sourced from PubChem (CID 141234814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).