3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane

C12H18O3 — CID 69494703

IUPAC3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane
SMILESCC=C1CCC2(OC1)OCC(=CC)CO2
InChIInChI=1S/C12H18O3/c1-3-10-5-6-12(13-7-10)14-8-11(4-2)9-15-12/h3-4H,5-9H2,1-2H3/b10-3?,11-4-
InChIKeyGUVSVGHYILDHPC-FUWJPPNGSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds

About 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane

3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane (PubChem CID 69494703) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane
PubChem CID69494703
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane
SMILESCC=C1CCC2(OC1)OCC(=CC)CO2
InChIInChI=1S/C12H18O3/c1-3-10-5-6-12(13-7-10)14-8-11(4-2)9-15-12/h3-4H,5-9H2,1-2H3/b10-3?,11-4-
InChIKeyGUVSVGHYILDHPC-FUWJPPNGSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane?
The IUPAC name of 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane (CID 69494703) is 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane?
The canonical SMILES for 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane is CC=C1CCC2(OC1)OCC(=CC)CO2.
What is the InChIKey of 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane?
The InChIKey is GUVSVGHYILDHPC-FUWJPPNGSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-10-5-6-12(13-7-10)14-8-11(4-2)9-15-12/h3-4H,5-9H2,1-2H3/b10-3?,11-4-.
What are the key properties of 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane?
3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane has a molecular weight of 210.27 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(ethylidene)-1,5,7-trioxaspiro[5.5]undecane is sourced from PubChem (CID 69494703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).