5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene

C11H18O — CID 14086392

IUPAC5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene
SMILESCC1=CCCC(C)(C)C12CCO2
InChIInChI=1S/C11H18O/c1-9-5-4-6-10(2,3)11(9)7-8-12-11/h5H,4,6-8H2,1-3H3
InChIKeyILFZNDLEYROLEN-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds

About 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene

5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene (PubChem CID 14086392) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene.

Molecular Properties

Compound Name5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene
PubChem CID14086392
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene
SMILESCC1=CCCC(C)(C)C12CCO2
InChIInChI=1S/C11H18O/c1-9-5-4-6-10(2,3)11(9)7-8-12-11/h5H,4,6-8H2,1-3H3
InChIKeyILFZNDLEYROLEN-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
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 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene?
The IUPAC name of 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene (CID 14086392) is 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene.
What is the SMILES notation for 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene?
The canonical SMILES for 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene is CC1=CCCC(C)(C)C12CCO2.
What is the InChIKey of 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene?
The InChIKey is ILFZNDLEYROLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-5-4-6-10(2,3)11(9)7-8-12-11/h5H,4,6-8H2,1-3H3.
What are the key properties of 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene?
5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene has a molecular weight of 166.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethyl-1-oxaspiro[3.5]non-8-ene is sourced from PubChem (CID 14086392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).