1-oxaspiro[4.4]non-8-ene

C8H12O — CID 11412372

IUPAC1-oxaspiro[4.4]non-8-ene
SMILESC1=CC2(CC1)CCCO2
InChIInChI=1S/C8H12O/c1-2-5-8(4-1)6-3-7-9-8/h1,4H,2-3,5-7H2
InChIKeyBFJMHXGFLCMQIV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.89
Rot. Bonds

About 1-oxaspiro[4.4]non-8-ene

1-oxaspiro[4.4]non-8-ene (PubChem CID 11412372) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-8-ene
PubChem CID11412372
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-oxaspiro[4.4]non-8-ene
SMILESC1=CC2(CC1)CCCO2
InChIInChI=1S/C8H12O/c1-2-5-8(4-1)6-3-7-9-8/h1,4H,2-3,5-7H2
InChIKeyBFJMHXGFLCMQIV-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 1-oxaspiro[4.4]non-8-ene?
The IUPAC name of 1-oxaspiro[4.4]non-8-ene (CID 11412372) is 1-oxaspiro[4.4]non-8-ene.
What is the SMILES notation for 1-oxaspiro[4.4]non-8-ene?
The canonical SMILES for 1-oxaspiro[4.4]non-8-ene is C1=CC2(CC1)CCCO2.
What is the InChIKey of 1-oxaspiro[4.4]non-8-ene?
The InChIKey is BFJMHXGFLCMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-5-8(4-1)6-3-7-9-8/h1,4H,2-3,5-7H2.
What are the key properties of 1-oxaspiro[4.4]non-8-ene?
1-oxaspiro[4.4]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 1-oxaspiro[4.4]non-8-ene is sourced from PubChem (CID 11412372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).