3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane

C13H20O2 — CID 66977418

IUPAC3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane
SMILESCC=C1CCC2(CC1)COC(=CC)OC2
InChIInChI=1S/C13H20O2/c1-3-11-5-7-13(8-6-11)9-14-12(4-2)15-10-13/h3-4H,5-10H2,1-2H3/b11-3-,12-4-
InChIKeyLBOGXBPJPMORMY-LPPGRIHKSA-N
MW208.30 g/mol
LogP3.40
Rot. Bonds

About 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane

3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane (PubChem CID 66977418) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane
PubChem CID66977418
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane
SMILESCC=C1CCC2(CC1)COC(=CC)OC2
InChIInChI=1S/C13H20O2/c1-3-11-5-7-13(8-6-11)9-14-12(4-2)15-10-13/h3-4H,5-10H2,1-2H3/b11-3-,12-4-
InChIKeyLBOGXBPJPMORMY-LPPGRIHKSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2,4-dioxaspiro[5.5]undecane?
The IUPAC name of 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane (CID 66977418) is 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane?
The canonical SMILES for 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane is CC=C1CCC2(CC1)COC(=CC)OC2.
What is the InChIKey of 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane?
The InChIKey is LBOGXBPJPMORMY-LPPGRIHKSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-11-5-7-13(8-6-11)9-14-12(4-2)15-10-13/h3-4H,5-10H2,1-2H3/b11-3-,12-4-.
What are the key properties of 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane?
3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane has a molecular weight of 208.30 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(ethylidene)-2,4-dioxaspiro[5.5]undecane is sourced from PubChem (CID 66977418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).