9-methylidene-3-oxaspiro[5.5]undecane

C11H18O — CID 88988814

IUPAC9-methylidene-3-oxaspiro[5.5]undecane
SMILESC=C1CCC2(CCOCC2)CC1
InChIInChI=1S/C11H18O/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h1-9H2
InChIKeyANAJOYODURZOGM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds

About 9-methylidene-3-oxaspiro[5.5]undecane

9-methylidene-3-oxaspiro[5.5]undecane (PubChem CID 88988814) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 9-methylidene-3-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methylidene-3-oxaspiro[5.5]undecane
PubChem CID88988814
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name9-methylidene-3-oxaspiro[5.5]undecane
SMILESC=C1CCC2(CCOCC2)CC1
InChIInChI=1S/C11H18O/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h1-9H2
InChIKeyANAJOYODURZOGM-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 9-methylidene-3-oxaspiro[5.5]undecane?
The IUPAC name of 9-methylidene-3-oxaspiro[5.5]undecane (CID 88988814) is 9-methylidene-3-oxaspiro[5.5]undecane.
What is the SMILES notation for 9-methylidene-3-oxaspiro[5.5]undecane?
The canonical SMILES for 9-methylidene-3-oxaspiro[5.5]undecane is C=C1CCC2(CCOCC2)CC1.
What is the InChIKey of 9-methylidene-3-oxaspiro[5.5]undecane?
The InChIKey is ANAJOYODURZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10-2-4-11(5-3-10)6-8-12-9-7-11/h1-9H2.
What are the key properties of 9-methylidene-3-oxaspiro[5.5]undecane?
9-methylidene-3-oxaspiro[5.5]undecane 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 9-methylidene-3-oxaspiro[5.5]undecane is sourced from PubChem (CID 88988814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).