1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane

C11H16O — CID 102079286

IUPAC1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane
SMILESC=CC1OC(=C)C12CCCCC2
InChIInChI=1S/C11H16O/c1-3-10-11(9(2)12-10)7-5-4-6-8-11/h3,10H,1-2,4-8H2
InChIKeyZMABBTOYPSJWRD-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.04
Rot. Bonds1

About 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane

1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane (PubChem CID 102079286) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane
PubChem CID102079286
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane
SMILESC=CC1OC(=C)C12CCCCC2
InChIInChI=1S/C11H16O/c1-3-10-11(9(2)12-10)7-5-4-6-8-11/h3,10H,1-2,4-8H2
InChIKeyZMABBTOYPSJWRD-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.04
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-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane?
The IUPAC name of 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane (CID 102079286) is 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane.
What is the SMILES notation for 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane?
The canonical SMILES for 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane is C=CC1OC(=C)C12CCCCC2.
What is the InChIKey of 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane?
The InChIKey is ZMABBTOYPSJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-10-11(9(2)12-10)7-5-4-6-8-11/h3,10H,1-2,4-8H2.
What are the key properties of 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane?
1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane has a molecular weight of 164.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane is sourced from PubChem (CID 102079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).