4-oxaspiro[2.4]hept-1-ene

C6H8O — CID 163201193

IUPAC4-oxaspiro[2.4]hept-1-ene
SMILESC1=CC12CCCO2
InChIInChI=1S/C6H8O/c1-2-6(3-4-6)7-5-1/h3-4H,1-2,5H2
InChIKeyMYXIBEVNJVJSAU-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.11
Rot. Bonds

About 4-oxaspiro[2.4]hept-1-ene

4-oxaspiro[2.4]hept-1-ene (PubChem CID 163201193) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-oxaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name4-oxaspiro[2.4]hept-1-ene
PubChem CID163201193
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name4-oxaspiro[2.4]hept-1-ene
SMILESC1=CC12CCCO2
InChIInChI=1S/C6H8O/c1-2-6(3-4-6)7-5-1/h3-4H,1-2,5H2
InChIKeyMYXIBEVNJVJSAU-UHFFFAOYSA-N
XLogP1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.11
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 4-oxaspiro[2.4]hept-1-ene?
The IUPAC name of 4-oxaspiro[2.4]hept-1-ene (CID 163201193) is 4-oxaspiro[2.4]hept-1-ene.
What is the SMILES notation for 4-oxaspiro[2.4]hept-1-ene?
The canonical SMILES for 4-oxaspiro[2.4]hept-1-ene is C1=CC12CCCO2.
What is the InChIKey of 4-oxaspiro[2.4]hept-1-ene?
The InChIKey is MYXIBEVNJVJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-6(3-4-6)7-5-1/h3-4H,1-2,5H2.
What are the key properties of 4-oxaspiro[2.4]hept-1-ene?
4-oxaspiro[2.4]hept-1-ene has a molecular weight of 96.13 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxaspiro[2.4]hept-1-ene is sourced from PubChem (CID 163201193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).