3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane

C11H16O4 — CID 87249813

IUPAC3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCC=C1COC2(OCCCO2)OC1=CC
InChIInChI=1S/C11H16O4/c1-3-9-8-14-11(15-10(9)4-2)12-6-5-7-13-11/h3-4H,5-8H2,1-2H3
InChIKeyBCJSNLUHYOVRFK-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.93
Rot. Bonds

About 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane

3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane (PubChem CID 87249813) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane
PubChem CID87249813
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCC=C1COC2(OCCCO2)OC1=CC
InChIInChI=1S/C11H16O4/c1-3-9-8-14-11(15-10(9)4-2)12-6-5-7-13-11/h3-4H,5-8H2,1-2H3
InChIKeyBCJSNLUHYOVRFK-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane (CID 87249813) is 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane is CC=C1COC2(OCCCO2)OC1=CC.
What is the InChIKey of 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The InChIKey is BCJSNLUHYOVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-9-8-14-11(15-10(9)4-2)12-6-5-7-13-11/h3-4H,5-8H2,1-2H3.
What are the key properties of 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane?
3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane has a molecular weight of 212.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(ethylidene)-1,5,7,11-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 87249813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).