3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

C13H24O4 — CID 11311116

IUPAC3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCC(C)C1OCC2(CO1)COC(C(C)C)OC2
InChIInChI=1S/C13H24O4/c1-9(2)11-14-5-13(6-15-11)7-16-12(10(3)4)17-8-13/h9-12H,5-8H2,1-4H3
InChIKeyNEBWHJITDZAZPU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.03
Rot. Bonds2

About 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 11311116) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID11311116
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCC(C)C1OCC2(CO1)COC(C(C)C)OC2
InChIInChI=1S/C13H24O4/c1-9(2)11-14-5-13(6-15-11)7-16-12(10(3)4)17-8-13/h9-12H,5-8H2,1-4H3
InChIKeyNEBWHJITDZAZPU-UHFFFAOYSA-N
XLogP2.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 11311116) is 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane is CC(C)C1OCC2(CO1)COC(C(C)C)OC2.
What is the InChIKey of 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is NEBWHJITDZAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-9(2)11-14-5-13(6-15-11)7-16-12(10(3)4)17-8-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 244.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 11311116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).