4,8-dioxaspiro[2.5]oct-1-ene

C6H8O2 — CID 543094

IUPAC4,8-dioxaspiro[2.5]oct-1-ene
SMILESC1=CC12OCCCO2
InChIInChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2
InChIKeyHIQNFQSASCLYLW-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.69
Rot. Bonds

About 4,8-dioxaspiro[2.5]oct-1-ene

4,8-dioxaspiro[2.5]oct-1-ene (PubChem CID 543094) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4,8-dioxaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name4,8-dioxaspiro[2.5]oct-1-ene
PubChem CID543094
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4,8-dioxaspiro[2.5]oct-1-ene
SMILESC1=CC12OCCCO2
InChIInChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2
InChIKeyHIQNFQSASCLYLW-UHFFFAOYSA-N
XLogP0.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,8-dioxaspiro[2.5]oct-1-ene?
The IUPAC name of 4,8-dioxaspiro[2.5]oct-1-ene (CID 543094) is 4,8-dioxaspiro[2.5]oct-1-ene.
What is the SMILES notation for 4,8-dioxaspiro[2.5]oct-1-ene?
The canonical SMILES for 4,8-dioxaspiro[2.5]oct-1-ene is C1=CC12OCCCO2.
What is the InChIKey of 4,8-dioxaspiro[2.5]oct-1-ene?
The InChIKey is HIQNFQSASCLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2.
What are the key properties of 4,8-dioxaspiro[2.5]oct-1-ene?
4,8-dioxaspiro[2.5]oct-1-ene has a molecular weight of 112.13 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dioxaspiro[2.5]oct-1-ene is sourced from PubChem (CID 543094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).