5-oxaspiro[3.5]non-8-ene

C8H12O — CID 66602357

IUPAC5-oxaspiro[3.5]non-8-ene
SMILESC1=CC2(CCC2)OCC1
InChIInChI=1S/C8H12O/c1-2-7-9-8(4-1)5-3-6-8/h1,4H,2-3,5-7H2
InChIKeyQWBSSGPYYJFWOZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.89
Rot. Bonds

About 5-oxaspiro[3.5]non-8-ene

5-oxaspiro[3.5]non-8-ene (PubChem CID 66602357) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-oxaspiro[3.5]non-8-ene.

Molecular Properties

Compound Name5-oxaspiro[3.5]non-8-ene
PubChem CID66602357
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-oxaspiro[3.5]non-8-ene
SMILESC1=CC2(CCC2)OCC1
InChIInChI=1S/C8H12O/c1-2-7-9-8(4-1)5-3-6-8/h1,4H,2-3,5-7H2
InChIKeyQWBSSGPYYJFWOZ-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.89
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-oxaspiro[3.5]non-8-ene?
The IUPAC name of 5-oxaspiro[3.5]non-8-ene (CID 66602357) is 5-oxaspiro[3.5]non-8-ene.
What is the SMILES notation for 5-oxaspiro[3.5]non-8-ene?
The canonical SMILES for 5-oxaspiro[3.5]non-8-ene is C1=CC2(CCC2)OCC1.
What is the InChIKey of 5-oxaspiro[3.5]non-8-ene?
The InChIKey is QWBSSGPYYJFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-9-8(4-1)5-3-6-8/h1,4H,2-3,5-7H2.
What are the key properties of 5-oxaspiro[3.5]non-8-ene?
5-oxaspiro[3.5]non-8-ene has a molecular weight of 124.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]non-8-ene is sourced from PubChem (CID 66602357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).